2-{[(3-methylphenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(3-methylphenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1475 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | Cc1cccc(CSc2nc3NC4CCCC(C=4C(c4cc(c(c(c4)OC)OC)OC)n3n2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9965 |
| logD: | 4.9346 |
| logSw: | -4.7368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.045 |
| InChI Key: | YZKQQRKMCFKVFJ-QHCPKHFHSA-N |