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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(2,5-dimethylphenyl)sulfanylacetate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(2,5-dimethylphenyl)sulfanylacetate structure

CAS No:
502749-66-8
Formula:
C21H19N3O3S
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(2,5-dimethylphenyl)sulfanylacetate
Synonyms:
ZINC6536330;Z19686132;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 2-[(2,5-dimethylphenyl)sulfanyl]acetate;502749-66-8

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(2,5-dimethylphenyl)sulfanylacetate Basic Attributes

Molecular Weight：

393.5 g/mol

Exact Mass：

393.11471265 g/mol

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:393.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:393.11471265
Monoisotopic Mass:393.11471265
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:644
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-(2,5-dimethylphenyl)sulfanylacetate

Basic Attributes
Characteristics
Computed Properties
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