5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0995 |
| Compound Name: | 5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.05 |
| Molecular Formula: | C23 H29 Cl N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(cccc1[Cl])S(Nc1cc(C(O)=O)c(nc1)N1CCCC(CN2CCCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.176 |
| logD: | 4.176 |
| logSw: | -4.1172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.851 |
| InChI Key: | XCCSQSKKLLNTQJ-QGZVFWFLSA-N |