AC1NY8A5
6,6-dimethyl-2-methylsulfanyl-9-phenyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132660|6,6-dimethyl-2-(methylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|6,6-DIMETHYL-2-(METHYLSULFANYL)-9-PHENYL-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE|6,6-dimethyl-2-(methylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol|6,6-dimethyl-2-(methylthio)-9-phenyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|6,6-dimethyl-2-methylsulfanyl-9-phenyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one|6,6-dimethyl-2-methylthio-9-phenyl-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[5,1-b ]quinazolin-8-one
| Molecular Formula | C18H20N4OS |
|---|---|
| Molecular Weight | 340.13577 g/mol |
| LogP | 3.6581 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.13577 |
| Monoisotopic Mass | 340.13577 |
| Heavy Atoms | 24 |
| Complexity | 837.95856 |
Chemical Identifiers
| CAS Number | 558474-25-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SC)N2)C4=CC=CC=C4)C(=O)C1)C |
Product Overview
AC1NY8A5 (CAS 558474-25-2), with molecular formula C18H20N4OS and molecular weight 340.13577 g/mol. IUPAC: 6,6-dimethyl-2-methylsulfanyl-9-phenyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.