6-[butyl(methyl)amino]-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-[butyl(methyl)amino]-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-[butyl(methyl)amino]-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0069 |
| Compound Name: | 6-[butyl(methyl)amino]-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 507.48 |
| Molecular Formula: | C18 H23 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1c(cc(cn1)C(O)=O)NS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2079 |
| logD: | 1.0385 |
| logSw: | -3.4697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.417 |
| InChI Key: | KIVTVKONHNEZSF-UHFFFAOYSA-N |