2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | C445-0162 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 558.62 |
| Molecular Formula: | C28 H26 N6 O5 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0884 |
| logD: | 6.082 |
| logSw: | -5.5402 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.589 |
| InChI Key: | BFYLNSOVVALLTC-UHFFFAOYSA-N |