5-[(ethanesulfonyl)amino]-2-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(ethanesulfonyl)amino]-2-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
5-[(ethanesulfonyl)amino]-2-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0732 |
| Compound Name: | 5-[(ethanesulfonyl)amino]-2-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C20 H24 F N3 O4 S |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)Cc1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2826 |
| logD: | 1.1669 |
| logSw: | -3.6383 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.887 |
| InChI Key: | XRSBVUNBNFEXGW-UHFFFAOYSA-N |