6-[butyl(methyl)amino]-5-[(3-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-[butyl(methyl)amino]-5-[(3-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-[butyl(methyl)amino]-5-[(3-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0101 |
| Compound Name: | 6-[butyl(methyl)amino]-5-[(3-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 491.48 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1c(cc(cn1)C(O)=O)NS(c1cccc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5541 |
| logD: | 0.3821 |
| logSw: | -3.6004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.873 |
| InChI Key: | LYEMDQKRFJBGIV-UHFFFAOYSA-N |