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

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

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

CAS No:
571150-09-9
Formula:
C23H22N6O2S
Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile
Synonyms:
ZINC3283439;Z15607729;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-{[5-(4-methoxyphenyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanenitrile;571150-09-9

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

Molecular Weight：

446.5 g/mol

Exact Mass：

446.15249514 g/mol

Characteristics

PSA：

138 Å²

Computed Properties

Molecular Weight:446.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:446.15249514
Monoisotopic Mass:446.15249514
Topological Polar Surface Area:138
Heavy Atom Count:32
Complexity:717
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-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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