1-(4-cyclohexylpiperazin-1-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-cyclohexylpiperazin-1-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-cyclohexylpiperazin-1-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D489-1028 |
| Compound Name: | 1-(4-cyclohexylpiperazin-1-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 475.66 |
| Molecular Formula: | C27 H33 N5 O S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N1CCN(CC1)C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0093 |
| logD: | 4.9002 |
| logSw: | -4.5001 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.198 |
| InChI Key: | OENXLGDRANRYMW-UHFFFAOYSA-N |