5-[(benzenesulfonyl)amino]-6-[butyl(methyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(benzenesulfonyl)amino]-6-[butyl(methyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(benzenesulfonyl)amino]-6-[butyl(methyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0070 |
| Compound Name: | 5-[(benzenesulfonyl)amino]-6-[butyl(methyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 477.46 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1c(cc(cn1)C(O)=O)NS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0405 |
| logD: | -0.1315 |
| logSw: | -3.3844 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.873 |
| InChI Key: | XFQVONQCDFIMQD-UHFFFAOYSA-N |