5-[(ethanesulfonyl)amino]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(ethanesulfonyl)amino]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid
5-[(ethanesulfonyl)amino]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0101 |
| Compound Name: | 5-[(ethanesulfonyl)amino]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 457.47 |
| Molecular Formula: | C20 H22 F3 N3 O4 S |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1078 |
| logD: | 1.9922 |
| logSw: | -4.0261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.607 |
| InChI Key: | PNHSVYIVHAMUBM-UHFFFAOYSA-N |