8,9-dimethoxy-5-{[(3-methoxyphenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
8,9-dimethoxy-5-{[(3-methoxyphenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
8,9-dimethoxy-5-{[(3-methoxyphenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0325 |
| Compound Name: | 8,9-dimethoxy-5-{[(3-methoxyphenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 503.54 |
| Molecular Formula: | C25 H21 N5 O5 S |
| Smiles: | COc1cccc(CSc2nc3cc(c(cc3c3nc(c4ccc(cc4)[N+]([O-])=O)nn23)OC)OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4076 |
| logD: | 5.3902 |
| logSw: | -5.7208 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.983 |
| InChI Key: | PRBLNDFFPHHVJW-UHFFFAOYSA-N |