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

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

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

CAS No:
485767-27-9
Formula:
C22H20N6OS2
Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]but-2-enenitrile
Synonyms:
ZINC3294486;Z19114840;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-4-[(5-{[4-(propan-2-yl)phenyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]butanenitrile;485767-27-9

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

Molecular Weight：

448.6 g/mol

Exact Mass：

448.11400163 g/mol

Characteristics

PSA：

164 Å²

Computed Properties

Molecular Weight:448.6
XLogP3:4.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:448.11400163
Monoisotopic Mass:448.11400163
Topological Polar Surface Area:164
Heavy Atom Count:31
Complexity:687
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-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]but-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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