5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid
5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | F293-0981 |
| Compound Name: | 5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}pyridine-3-carboxylic acid |
| Molecular Weight: | 586.63 |
| Molecular Formula: | C24 H32 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1cc(C(O)=O)c(nc1)N1CCCC(CN2CCCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2018 |
| logD: | 4.2018 |
| logSw: | -3.9819 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.851 |
| InChI Key: | HBCJAERAIILFRQ-LJQANCHMSA-N |