2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0216 |
| Compound Name: | 2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C22 H27 N3 O6 S |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)C(=O)OCC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2343 |
| logD: | 2.1186 |
| logSw: | -4.0289 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.228 |
| InChI Key: | YKTWAMSUZSOQRA-UHFFFAOYSA-N |