1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D419-0086 |
| Compound Name: | 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N1CCN(CC1)CCO)=O |
| Stereo: | ACHIRAL |
| logP: | 2.271 |
| logD: | 2.2553 |
| logSw: | -2.3566 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.095 |
| InChI Key: | LIAUVTQBZCOCBP-UHFFFAOYSA-N |