 Home > Encyclopedia > 4-[2-cyano-3-(4-cyanophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]benzonitrile

4-[2-cyano-3-(4-cyanophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]benzonitrile

4-[2-cyano-3-(4-cyanophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]benzonitrile structure

CAS No:
730986-24-0
Formula:
C25H22N6
Chemical Name:
4-[2-cyano-3-(4-cyanophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]benzonitrile
Synonyms:
HMS1749O09;ZINC3282831;AKOS034448791;MCULE-2056152302;Z55989780;4-{2-cyano-2-[(4-cyanophenyl)methyl]-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}ethyl}benzonitrile;730986-24-0

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4-[2-cyano-3-(4-cyanophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]benzonitrile Basic Attributes

Molecular Weight：

406.5 g/mol

Exact Mass：

406.19059473 g/mol

Characteristics

PSA：

102 Å²

Computed Properties

Molecular Weight:406.5
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:406.19059473
Monoisotopic Mass:406.19059473
Topological Polar Surface Area:102
Heavy Atom Count:31
Complexity:711
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[2-cyano-3-(4-cyanophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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