2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid
Chemical Structure Depiction of
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | F290-0212 |
| Compound Name: | 2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-{[4-(propan-2-yl)benzene-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(c1ccc(cc1)C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6418 |
| logD: | 2.5262 |
| logSw: | -4.2546 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.228 |
| InChI Key: | FHOCYNOWYLZKAY-UHFFFAOYSA-N |