2-(diethylamino)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(diethylamino)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(diethylamino)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0729 |
| Compound Name: | 2-(diethylamino)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 519.54 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)c1c(cc(cn1)NS(c1ccc(CC(C)C)cc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7641 |
| logD: | 3.1565 |
| logSw: | -4.256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.103 |
| InChI Key: | KQMXNJVGLDAAFK-UHFFFAOYSA-N |