5-[(3-methylbenzene-1-sulfonyl)amino]-6-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3-methylbenzene-1-sulfonyl)amino]-6-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(3-methylbenzene-1-sulfonyl)amino]-6-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0994 |
| Compound Name: | 5-[(3-methylbenzene-1-sulfonyl)amino]-6-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.6 |
| Molecular Formula: | C23 H30 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1cc(cnc1N1CCCC(CN2CCCC2)C1)C(O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5211 |
| logD: | 3.5211 |
| logSw: | -3.646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.153 |
| InChI Key: | MLFUDYLKSMJHQT-GOSISDBHSA-N |