AC1NY8AC
9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132688|9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|9-(3-ETHOXY-4-HYDROXYPHENYL)-6,6-DIMETHYL-2-(METHYLSULFANYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE|9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol|9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-(methylthio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-methylsulfanyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one|9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-methylthio-4,5,6,7,9,10-hexahydro- 1,2,4-triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C20H24N4O3S |
|---|---|
| Molecular Weight | 400.15692 g/mol |
| LogP | 3.7624 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.15692 |
| Monoisotopic Mass | 400.15692 |
| Heavy Atoms | 28 |
| Complexity | 979.82556 |
Chemical Identifiers
| CAS Number | 727403-52-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=NC(=NN24)SC)O |
Product Overview
AC1NY8AC (CAS 727403-52-3), with molecular formula C20H24N4O3S and molecular weight 400.15692 g/mol. IUPAC: 9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.