[(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]acetic acid
[(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | Y205-5603 |
| Compound Name: | [(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]acetic acid |
| Molecular Weight: | 362.37 |
| Molecular Formula: | C15 H17 F3 N2 O3 S |
| Smiles: | C1CN(CCN1C(CSCC(O)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.9263 |
| logD: | -1.4423 |
| logSw: | -2.2024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.275 |
| InChI Key: | TUAWWOMEZQLSAD-UHFFFAOYSA-N |