2-[benzyl(ethyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0023 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.61 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1c(cc(cn1)NS(c1ccc(CC(C)C)cc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7983 |
| logD: | 4.4675 |
| logSw: | -5.191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.106 |
| InChI Key: | MKEZKMAIFPMRIJ-UHFFFAOYSA-N |