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[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate structure

CAS No:
730989-36-3
Formula:
C19H24ClN3O5S
Chemical Name:
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
Synonyms:
ZINC3284388;AKOS033636944;MCULE-4201898488;Z18695721;[(2-cyanoethyl)(methyl)carbamoyl]methyl 3-(azepane-1-sulfonyl)-4-chlorobenzoate;730989-36-3

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[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Basic Attributes

Molecular Weight：

441.9 g/mol

Exact Mass：

441.1125197 g/mol

Characteristics

PSA：

116 Å²

Computed Properties

Molecular Weight:441.9
XLogP3:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:441.1125197
Monoisotopic Mass:441.1125197
Topological Polar Surface Area:116
Heavy Atom Count:29
Complexity:722
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate

Basic Attributes
Characteristics
Computed Properties
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