2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0227 |
| Compound Name: | 2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccc(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6322 |
| logD: | 1.5166 |
| logSw: | -3.8062 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.228 |
| InChI Key: | DPHLWPWTPQOGNL-UHFFFAOYSA-N |