4-([1,4'-bipiperidin]-1'-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-([1,4'-bipiperidin]-1'-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
4-([1,4'-bipiperidin]-1'-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0611 |
| Compound Name: | 4-([1,4'-bipiperidin]-1'-yl)-3-{[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(Nc1cc(ccc1N1CCC(CC1)N1CCCCC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9842 |
| logD: | 5.9842 |
| logSw: | -5.2208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.843 |
| InChI Key: | ZNKCOHULLYPHCD-UHFFFAOYSA-N |