1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0141 |
| Compound Name: | 1-[4-(4-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: | COc1ccc(cc1)N1CCN(CC1)C(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7578 |
| logD: | 1.566 |
| logSw: | -3.173 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.67 |
| InChI Key: | SKICZBFKISWWJS-UHFFFAOYSA-N |