2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | E716-0148 |
| Compound Name: | 2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 492.52 |
| Molecular Formula: | C23 H23 F3 N4 O3 S |
| Smiles: | COc1ccc(cc1)c1nc(CSCC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.9275 |
| logD: | 4.9275 |
| logSw: | -4.7816 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.506 |
| InChI Key: | BUTAVPQSXRAIRG-UHFFFAOYSA-N |