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

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

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

CAS No:
729585-51-7
Formula:
C23H21ClN6O2S
Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[5-(4-chlorophenyl)-4-(2-ethoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
Synonyms:
ZINC3292006;Z18598616;4-{[5-(4-chlorophenyl)-4-(2-ethoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;729585-51-7

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

Molecular Weight：

481.0 g/mol

Exact Mass：

480.1135228 g/mol

Characteristics

PSA：

138 Å²

Computed Properties

Molecular Weight:481.0
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:480.1135228
Monoisotopic Mass:480.1135228
Topological Polar Surface Area:138
Heavy Atom Count:33
Complexity:725
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-(4-chlorophenyl)-4-(2-ethoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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