5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid
5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F290-0211 |
| Compound Name: | 5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C22 H27 N3 O6 S |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1ccc(C)c(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2324 |
| logD: | 2.1167 |
| logSw: | -4.0353 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.228 |
| InChI Key: | XNXAQCWVFZSUOV-UHFFFAOYSA-N |