8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0093 |
| Compound Name: | 8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C25 H22 N4 O2 S |
| Smiles: | Cc1ccc(CSc2nc3cc(c(cc3c3nc(c4ccccc4)nn23)OC)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4674 |
| logD: | 5.4499 |
| logSw: | -5.6524 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.058 |
| InChI Key: | DHPIABYPVUYAAS-UHFFFAOYSA-N |