1-[4-(3-methoxyphenyl)piperazin-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-(3-methoxyphenyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D489-0995 |
| Compound Name: | 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C28 H29 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N1CCN(CC1)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0955 |
| logD: | 5.0955 |
| logSw: | -4.9358 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.909 |
| InChI Key: | VWMIJCYVSYHPKC-UHFFFAOYSA-N |