2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D419-0548 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C24 H29 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(N1CCN(CC1)CCO)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9111 |
| logD: | 1.8954 |
| logSw: | -2.5092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.812 |
| InChI Key: | RLQWGJBXPRIMGH-UHFFFAOYSA-N |