8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0144 |
| Compound Name: | 8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | Cc1ccc(CSc2nc3cc(c(cc3c3nc(c4ccc(cc4)[N+]([O-])=O)nn23)OC)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4981 |
| logD: | 5.4806 |
| logSw: | -5.5732 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.439 |
| InChI Key: | BYNSTAYYQKJENK-UHFFFAOYSA-N |