2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(2-fluorophenyl)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-fluorophenyl)acetamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C445-0175 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 534.52 |
| Molecular Formula: | C25 H19 F N6 O5 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5303 |
| logD: | 4.5239 |
| logSw: | -4.3812 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.891 |
| InChI Key: | UOWQLTLSORHTAO-UHFFFAOYSA-N |