4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0215 |
| Compound Name: | 4-[4-(ethoxycarbonyl)piperazin-1-yl]-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 603.61 |
| Molecular Formula: | C24 H31 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1NS(c1ccc(CC(C)C)cc1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1735 |
| logD: | 2.4348 |
| logSw: | -4.8547 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.53 |
| InChI Key: | VMLXQGFPCVXWCR-UHFFFAOYSA-N |