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

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

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

CAS No:
485384-36-9
Formula:
C21H18N6OS2
Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-hydroxybut-2-enenitrile
Synonyms:
ZINC8686159;Z19006249;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-({5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-3-oxobutanenitrile;485384-36-9

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

Molecular Weight：

434.5 g/mol

Exact Mass：

434.09835157 g/mol

Characteristics

PSA：

164 Å²

Computed Properties

Molecular Weight:434.5
XLogP3:4.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:434.09835157
Monoisotopic Mass:434.09835157
Topological Polar Surface Area:164
Heavy Atom Count:30
Complexity:682
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-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-hydroxybut-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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