2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F019-0103 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 490.03 |
| Molecular Formula: | C26 H24 Cl N5 O S |
| Smiles: | C1CN(CCN1C(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1589 |
| logD: | 5.1588 |
| logSw: | -5.819 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.365 |
| InChI Key: | KARSKNCKWODOLL-UHFFFAOYSA-N |