5-(4-cyclohexylpiperazin-1-yl)-2-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-cyclohexylpiperazin-1-yl)-2-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-(4-cyclohexylpiperazin-1-yl)-2-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0373 |
| Compound Name: | 5-(4-cyclohexylpiperazin-1-yl)-2-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)C1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.728 |
| logD: | 5.728 |
| logSw: | -5.1215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.144 |
| InChI Key: | VGQCSGOUGNOIGS-UHFFFAOYSA-N |