2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-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-methylpiperazin-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0407 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C21 H22 Cl N5 O S |
| Smiles: | CN1CCN(CC1)C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9786 |
| logD: | 2.8918 |
| logSw: | -3.6153 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.582 |
| InChI Key: | FZFHJBLZLSOVBJ-UHFFFAOYSA-N |