AC1NX29Q
2-methylsulfanyl-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: SR-01000587142-1|2-(methylthio)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-(METHYLSULFANYL)-9-(2,3,4-TRIMETHOXYPHENYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE|2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol|2-(methylthio)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-methylsulfanyl-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one|2-methylthio-9-(2,3,4-trimethoxyphenyl)-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[ 5,1-b]quinazolin-8-one
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.13617 g/mol |
| LogP | 3.0478 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.13617 |
| Monoisotopic Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 969.0835 |
Chemical Identifiers
| CAS Number | 698374-40-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2C3=C(CCCC3=O)NC4=NC(=NN24)SC)OC)OC |
Product Overview
AC1NX29Q (CAS 698374-40-2), with molecular formula C19H22N4O4S and molecular weight 402.13617 g/mol. IUPAC: 2-methylsulfanyl-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.