5-[(methanesulfonyl)amino]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(methanesulfonyl)amino]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid
5-[(methanesulfonyl)amino]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0103 |
| Compound Name: | 5-[(methanesulfonyl)amino]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 443.44 |
| Molecular Formula: | C19 H20 F3 N3 O4 S |
| Smiles: | CS(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3648 |
| logD: | 1.2492 |
| logSw: | -3.7447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.926 |
| InChI Key: | OCZXZYXMAAJHNS-UHFFFAOYSA-N |