2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G731-0204 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 413.93 |
| Molecular Formula: | C20 H20 Cl N5 O S |
| Smiles: | C1CN(CCN1C(CSc1nnc(c2ccccc2[Cl])[nH]1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0275 |
| logD: | 1.8358 |
| logSw: | -3.7519 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.127 |
| InChI Key: | ULLDOWCFJWUKBH-UHFFFAOYSA-N |