5-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
5-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid
5-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F290-0269 |
| Compound Name: | 5-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | Cc1cc(C)cc(c1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cccc(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2777 |
| logD: | 4.1621 |
| logSw: | -5.3094 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.407 |
| InChI Key: | VUXRNNYAZAUXDR-UHFFFAOYSA-N |