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[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate structure

CAS No:
554425-75-1
Formula:
C26H26N2O5S
Chemical Name:
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
Synonyms:
ZINC3325903;AKOS002442998;MCULE-7260562774;Z15611477;[(2,6-dimethylphenyl)carbamoyl]methyl 4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoate;554425-75-1

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[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Basic Attributes

Molecular Weight：

478.6 g/mol

Exact Mass：

478.15624311 g/mol

Characteristics

PSA：

101 Å²

Computed Properties

Molecular Weight:478.6
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:478.15624311
Monoisotopic Mass:478.15624311
Topological Polar Surface Area:101
Heavy Atom Count:34
Complexity:808
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(2,6-dimethylanilino)-2-oxoethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Basic Attributes
Characteristics
Computed Properties
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