5-[(2-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-[(2-methylbenzene-1-sulfonyl)amino]-6-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(2-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: | F296-0986 |
Compound Name: | 5-[(2-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: | Cc1ccccc1S(Nc1cc(cnc1N1CCCC(CN2CCCC2)C1)C(O)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3556 |
logD: | 3.3556 |
logSw: | -3.4575 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.153 |
InChI Key: | WZIDSIVJEQWWQF-GOSISDBHSA-N |