 Home > Encyclopedia > 2-(1H-benzimidazol-2-yl)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile

2-(1H-benzimidazol-2-yl)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile

2-(1H-benzimidazol-2-yl)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile structure

CAS No:
775307-89-6
Formula:
C18H15N7OS
Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile
Synonyms:
MLS002634892;CHEMBL1383318;HMS2424A06;HMS3088C10;ZINC4015286;SMR001544516;Z21482911;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-3-oxobutanenitrile;775307-89-6

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2-(1H-benzimidazol-2-yl)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile Basic Attributes

Molecular Weight：

377.4 g/mol

Exact Mass：

377.10587930 g/mol

Characteristics

PSA：

141 Å²

Computed Properties

Molecular Weight:377.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:377.10587930
Monoisotopic Mass:377.10587930
Topological Polar Surface Area:141
Heavy Atom Count:27
Complexity:634
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-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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