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[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate

[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate structure

CAS No:
783312-00-5
Formula:
C22H21N3O4S
Chemical Name:
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
Synonyms:
ZINC3362242;AKOS002449259;MCULE-8038869454;Z16218885;[(2-cyanoethyl)(3,5-dimethylphenyl)carbamoyl]methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate;783312-00-5

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[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Basic Attributes

Molecular Weight：

423.5 g/mol

Exact Mass：

423.12527733 g/mol

Characteristics

PSA：

125 Å²

Computed Properties

Molecular Weight:423.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:423.12527733
Monoisotopic Mass:423.12527733
Topological Polar Surface Area:125
Heavy Atom Count:30
Complexity:696
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate

Basic Attributes
Characteristics
Computed Properties
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