 Home > Encyclopedia > 2-(1H-benzimidazol-2-yl)-4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile

2-(1H-benzimidazol-2-yl)-4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile

2-(1H-benzimidazol-2-yl)-4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile structure

CAS No:
730250-19-8
Formula:
C24H16ClN7OS
Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
Synonyms:
ZINC3295623;Z19330252;4-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;730250-19-8

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2-(1H-benzimidazol-2-yl)-4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile Basic Attributes

Molecular Weight：

485.9 g/mol

Exact Mass：

485.0825570 g/mol

Characteristics

PSA：

142 Å²

Computed Properties

Molecular Weight:485.9
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:485.0825570
Monoisotopic Mass:485.0825570
Topological Polar Surface Area:142
Heavy Atom Count:34
Complexity:777
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1H-benzimidazol-2-yl)-4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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