2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C445-0151 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 558.62 |
| Molecular Formula: | C28 H26 N6 O5 S |
| Smiles: | CCN(C(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6796 |
| logD: | 5.6733 |
| logSw: | -5.4494 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.531 |
| InChI Key: | BRQNBQSACLPHGO-UHFFFAOYSA-N |