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

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

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

CAS No:
732257-44-2
Formula:
C22H24N6OS
Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile
Synonyms:
ZINC6456689;Z15820602;4-{[5-cyclohexyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;732257-44-2

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

Molecular Weight：

420.5 g/mol

Exact Mass：

420.17323058 g/mol

Characteristics

PSA：

129 Å²

Computed Properties

Molecular Weight:420.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:420.17323058
Monoisotopic Mass:420.17323058
Topological Polar Surface Area:129
Heavy Atom Count:30
Complexity:684
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-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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