 Home > Encyclopedia > 4-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile

4-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile

4-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile structure

CAS No:
731794-35-7
Formula:
C24H19N7OS
Chemical Name:
4-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile
Synonyms:
ZINC3286710;Z55017303;4-({4-amino-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;731794-35-7

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4-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile Basic Attributes

Molecular Weight：

453.5 g/mol

Exact Mass：

453.13717943 g/mol

Characteristics

PSA：

155 Å²

Computed Properties

Molecular Weight:453.5
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:453.13717943
Monoisotopic Mass:453.13717943
Topological Polar Surface Area:155
Heavy Atom Count:33
Complexity:769
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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