3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0204 |
| Compound Name: | 3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 575.56 |
| Molecular Formula: | C22 H27 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1NS(c1cc(C)ccc1C)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2588 |
| logD: | 0.8183 |
| logSw: | -3.9845 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.53 |
| InChI Key: | AJNNAJCUHWSUHV-UHFFFAOYSA-N |