2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(ethanesulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(ethanesulfonyl)amino]benzoic acid
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(ethanesulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0273 |
| Compound Name: | 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(ethanesulfonyl)amino]benzoic acid |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4651 |
| logD: | 2.3494 |
| logSw: | -4.0865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.306 |
| InChI Key: | KTDYTSZCPMOLKB-UHFFFAOYSA-N |