2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0401 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 441.98 |
| Molecular Formula: | C22 H24 Cl N5 O S |
| Smiles: | CCN1CCN(CC1)C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3233 |
| logD: | 3.2043 |
| logSw: | -3.6313 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.642 |
| InChI Key: | SOEIVKKPXNIDTG-UHFFFAOYSA-N |