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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate structure

CAS No:
783316-49-4
Formula:
C20H14ClN5O6
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
Synonyms:
ZINC3363324;Z20186948;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 2-[(4-chloro-3-nitrophenyl)formamido]acetate;783316-49-4

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Basic Attributes

Molecular Weight：

455.8 g/mol

Exact Mass：

455.0632609 g/mol

Characteristics

PSA：

174 Å²

Computed Properties

Molecular Weight:455.8
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:455.0632609
Monoisotopic Mass:455.0632609
Topological Polar Surface Area:174
Heavy Atom Count:32
Complexity:821
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate

Basic Attributes
Characteristics
Computed Properties
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