3-[(2,5-difluorobenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-difluorobenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-difluorobenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0222 |
| Compound Name: | 3-[(2,5-difluorobenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 583.49 |
| Molecular Formula: | C20 H21 F2 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1NS(c1cc(ccc1F)F)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5803 |
| logD: | 0.8416 |
| logSw: | -3.8589 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.53 |
| InChI Key: | MVBLXCQJHFXETE-UHFFFAOYSA-N |