2-{[(2-methylphenyl)methyl]sulfanyl}-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(2-methylphenyl)methyl]sulfanyl}-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2-methylphenyl)methyl]sulfanyl}-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2633 |
| Compound Name: | 2-{[(2-methylphenyl)methyl]sulfanyl}-9-(2,4,5-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: | Cc1ccccc1CSc1nc2NC3CCCC(C=3C(c3cc(c(cc3OC)OC)OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8718 |
| logD: | 4.8099 |
| logSw: | -4.632 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.958 |
| InChI Key: | FGXQAFXDIJUXTH-DEOSSOPVSA-N |