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

2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile

2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile structure

CAS No:
473229-96-8
Formula:
C25H19N7OS
Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile
Synonyms:
ZINC3294426;Z19257708;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-{[4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanenitrile;473229-96-8

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

Molecular Weight：

465.5 g/mol

Exact Mass：

465.13717943 g/mol

Characteristics

PSA：

142 Å²

Computed Properties

Molecular Weight:465.5
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:465.13717943
Monoisotopic Mass:465.13717943
Topological Polar Surface Area:142
Heavy Atom Count:34
Complexity:785
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)-3-hydroxy-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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