4-([1,4'-bipiperidin]-1'-yl)-3-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-([1,4'-bipiperidin]-1'-yl)-3-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-([1,4'-bipiperidin]-1'-yl)-3-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F295-0626 |
Compound Name: | 4-([1,4'-bipiperidin]-1'-yl)-3-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 585.64 |
Molecular Formula: | C25 H33 N3 O4 S |
Salt: | CF3COOH |
Smiles: | Cc1cc(C)cc(c1)S(Nc1cc(ccc1N1CCC(CC1)N1CCCCC1)C(O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.0568 |
logD: | 5.0568 |
logSw: | -4.3752 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.843 |
InChI Key: | SBNCTNLAQJOHBD-UHFFFAOYSA-N |