Oprea1_585247

2-benzylsulfanyl-6,6-dimethyl-9-pyridin-4-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Also Known As: Oprea1_585247|2-(benzylsulfanyl)-6,6-dimethyl-9-(pyridin-4-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol|2-(benzylthio)-6,6-dimethyl-9-(pyridin-4-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-(BENZYLSULFANYL)-6,6-DIMETHYL-9-(PYRIDIN-4-YL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE|2-(benzylsulfanyl)-6,6-dimethyl-9-(pyridin-4-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-benzylsulfanyl-6,6-dimethyl-9-pyridin-4-yl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one|6,6-dimethyl-2-(phenylmethylthio)-9-(4-pyridyl)-4,5,6,7,9,10-hexahydro-1,2,4-t riazolo[5,1-b]quinazolin-8-one

Molecular Formula	C23H23N5OS
Molecular Weight	417.16232 g/mol
LogP	4.6235
Topological Polar Surface Area	72.7 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	417.16232
Monoisotopic Mass	417.16232
Heavy Atoms	30
Complexity	1121.0099

Chemical Identifiers

CAS Number	536984-98-2
SMILES	CC1(CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4)N2)C5=CC=NC=C5)C(=O)C1)C