2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0284 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C21 H22 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1314 |
| logD: | 1.9397 |
| logSw: | -3.6159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.67 |
| InChI Key: | JIZASMCDWCAGBB-UHFFFAOYSA-N |