4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0978 |
| Compound Name: | 4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.67 |
| Molecular Formula: | C26 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(c(C)c1)S(Nc1cc(ccc1N1CCCC(CN2CCCC2)C1)C(O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3158 |
| logD: | 5.3158 |
| logSw: | -5.1551 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.782 |
| InChI Key: | LEIBZXMBRZQIGZ-OAQYLSRUSA-N |