5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0126 |
| Compound Name: | 5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 529.62 |
| Molecular Formula: | C28 H27 N5 O4 S |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3cc(c(cc3c3nc(c4ccc(cc4)[N+]([O-])=O)nn23)OC)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8692 |
| logD: | 6.8517 |
| logSw: | -5.8219 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.439 |
| InChI Key: | ZADFNTQYVHGMBW-UHFFFAOYSA-N |