2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D489-0996 |
| Compound Name: | 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 483.64 |
| Molecular Formula: | C28 H29 N5 O S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N1CCN(CC1)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4301 |
| logD: | 5.43 |
| logSw: | -5.4091 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.365 |
| InChI Key: | JCBQEVXQTAUISV-UHFFFAOYSA-N |