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

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

CAS No:
730244-11-8
Formula:
C20H16N6OS2
Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]but-2-enenitrile
Synonyms:
MLS002636952;CHEMBL1867154;HMS3091D04;ZINC8686148;SMR001544613;Z19593828;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-({5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-3-oxobutanenitrile;730244-11-8

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

Molecular Weight：

420.5 g/mol

Exact Mass：

420.08270150 g/mol

Characteristics

PSA：

164 Å²

Computed Properties

Molecular Weight:420.5
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:420.08270150
Monoisotopic Mass:420.08270150
Topological Polar Surface Area:164
Heavy Atom Count:29
Complexity:652
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-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]but-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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