1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0026 |
| Compound Name: | 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6545 |
| logD: | 1.4628 |
| logSw: | -3.046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.456 |
| InChI Key: | GUXKLGSCYXYRQM-UHFFFAOYSA-N |