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[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate structure

CAS No:
729575-37-5
Formula:
C20H17ClN4O6
Chemical Name:
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate
Synonyms:
ZINC3286406;AKOS033686316;MCULE-1515871074;Z19492736;[(2-cyanoethyl)(phenyl)carbamoyl]methyl 2-[(3-chloro-5-nitrophenyl)formamido]acetate;729575-37-5

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[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Basic Attributes

Molecular Weight：

444.8 g/mol

Exact Mass：

444.0836620 g/mol

Characteristics

PSA：

145 Å²

Computed Properties

Molecular Weight:444.8
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:444.0836620
Monoisotopic Mass:444.0836620
Topological Polar Surface Area:145
Heavy Atom Count:31
Complexity:712
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate

Basic Attributes
Characteristics
Computed Properties
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