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

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

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

CAS No:
736934-76-2
Formula:
C19H12Cl2N6OS
Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
Synonyms:
ZINC3297265;Z25560966;4-{[5-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;736934-76-2

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

Molecular Weight：

443.3 g/mol

Exact Mass：

442.0170356 g/mol

Characteristics

PSA：

140 Å²

Computed Properties

Molecular Weight:443.3
XLogP3:4.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:442.0170356
Monoisotopic Mass:442.0170356
Topological Polar Surface Area:140
Heavy Atom Count:29
Complexity:672
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-[[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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