2-([1,4'-bipiperidin]-1'-yl)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-([1,4'-bipiperidin]-1'-yl)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-([1,4'-bipiperidin]-1'-yl)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0623 |
| Compound Name: | 2-([1,4'-bipiperidin]-1'-yl)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.62 |
| Molecular Formula: | C24 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1ccc(c(c1)C(O)=O)N1CCC(CC1)N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4429 |
| logD: | 4.4429 |
| logSw: | -4.1138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.541 |
| InChI Key: | PSXOEHGMYMFPRC-UHFFFAOYSA-N |