2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8012-4514 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 535.02 |
| Molecular Formula: | C26 H23 Cl N6 O3 S |
| Smiles: | C1CN(CCN1C(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2061 |
| logD: | 5.2061 |
| logSw: | -5.9046 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.747 |
| InChI Key: | ZDJAXUAAMMQKCR-UHFFFAOYSA-N |