3-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
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![3-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0384706e16024449bf0233271179884f.png "3-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine")
3-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
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CAS No:
380316-92-7
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Formula:
C21H21N5S
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Chemical Name:
3-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
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Synonyms:
Oprea1_506216;ZINC3265025;ZINC03866681;AKOS034457702;MCULE-4614230961;Z56817564;2-{[(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)methyl]sulfanyl}-1H-1,3-benzodiazole;380316-92-7
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CAS No:
3-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Basic Attributes
375.5 g/mol
375.15176686 g/mol
Computed Properties
Molecular Weight:375.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:375.15176686
Monoisotopic Mass:375.15176686
Topological Polar Surface Area:84.7
Heavy Atom Count:27
Complexity:483
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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