 Home > Encyclopedia > 2-[benzyl(methyl)amino]ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5,5-dioxo-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate

2-[benzyl(methyl)amino]ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5,5-dioxo-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate

2-[benzyl(methyl)amino]ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5,5-dioxo-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate structure

CAS No:
112769-37-6
Formula:
C27H30ClFN2O4S
Chemical Name:
2-[benzyl(methyl)amino]ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5,5-dioxo-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate
Synonyms:
N-benzyl-N-methylaminoethyl-9-(2-chloro-6-fluorophenyl)-2,3,4,5,6,9-hexahydro-7-methyl-1,1-dioxothiacyclohepteno-(3,2-b)pyridine-8-carboxylate;RWJ 22108;RWJ-22108;Rwj 22108;Rwj-22108;112769-37-6;2-(benzyl(methyl)amino)ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate 5,5-dioxide;2-(Methyl(phenylmethyl)amino)ethyl 4-(2-chloro-6-fluorophenyl)-1,4,6,7,8,9-hexahydro-2-methylthiepino(3,2-b)pyridine-3-carboxylate 5,5-dioxide;ACMC-20cv3e;DTXSID20920892;2-[benzyl(methyl)amino]ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5,5-dioxo-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate;N-Benzyl-N-methylaminoethyl-9-(2-chloro-6-fluorophenyl)-2,3,4,5,6,9-hexahydro-7-methyl-1,1-dioxothiacyclohepteno-(3,2-b)pyridine-8-carboxylate;Thiepino[3,2-b]pyridine-3-carboxylicacid, 4-(2-chloro-6-fluorophenyl)-1,4,6,7,8,9-hexahydro-2-methyl-,2-[methyl(phenylmethyl)amino]ethyl ester, 5,5-dioxide;2-[Benzyl(methyl)amino]ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5,5-dioxo-4,5,6,7,8,9-hexahydro-1H-5lambda~6~-thiepino[3,2-b]pyridine-3-carboxylate;Thiepino(3,2-b)pyridine-3-carboxylic acid, 4-(2-chloro-6-fluorophenyl)-1,4,6,7,8,9-hexahydro-2-methyl-, 2-(methyl(phenylmethyl)amino)ethyl ester, 5,5-dioxide

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2-[benzyl(methyl)amino]ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5,5-dioxo-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate Basic Attributes

Molecular Weight：

533.1 g/mol

Exact Mass：

532.1598845 g/mol

Characteristics

PSA：

84.1 Å²

Drug Information

MeSH Entry Terms：

N-benzyl-N-methylaminoethyl-9-(2-chloro-6-fluorophenyl)-2,3,4,5,6,9-hexahydro-7-methyl-1,1-dioxothiacyclohepteno-(3,2-b)pyridine-8-carboxylate

Computed Properties

Molecular Weight:533.1
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:532.1598845
Monoisotopic Mass:532.1598845
Topological Polar Surface Area:84.1
Heavy Atom Count:36
Complexity:971
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[benzyl(methyl)amino]ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5,5-dioxo-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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