2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0226 |
| Compound Name: | 2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 475.56 |
| Molecular Formula: | C23 H29 N3 O6 S |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cc(C)c(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6416 |
| logD: | 2.526 |
| logSw: | -4.2378 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.228 |
| InChI Key: | NDZXYBSIWIBWNT-UHFFFAOYSA-N |