4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0196 |
| Compound Name: | 4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 565.5 |
| Molecular Formula: | C20 H22 F N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1NS(c1ccc(cc1)F)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5222 |
| logD: | 0.3638 |
| logSw: | -3.901 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.53 |
| InChI Key: | WQVYDSQVINMAES-UHFFFAOYSA-N |