2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Compound characteristics
| Compound ID: | C445-0146 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide |
| Molecular Weight: | 520.53 |
| Molecular Formula: | C23 H20 N8 O5 S |
| Smiles: | Cc1cc(NC(CSc2nc3cc(c(cc3c3nc(c4ccc(cc4)[N+]([O-])=O)nn23)OC)OC)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.7225 |
| logD: | 3.7133 |
| logSw: | -4.0745 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.724 |
| InChI Key: | JIOHMNOSJLSKJQ-UHFFFAOYSA-N |