2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C445-0286 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide |
| Molecular Weight: | 544.59 |
| Molecular Formula: | C27 H24 N6 O5 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2328 |
| logD: | 5.2265 |
| logSw: | -5.0561 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.891 |
| InChI Key: | JVFGFYZBTOEUPA-UHFFFAOYSA-N |