2-[butyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[butyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0540 |
| Compound Name: | 2-[butyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 555.96 |
| Molecular Formula: | C19 H24 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1c(cc(cn1)NS(c1ccc(c(c1)[Cl])OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2804 |
| logD: | 2.6728 |
| logSw: | -4.2386 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.987 |
| InChI Key: | NKTACTGWESXLKX-UHFFFAOYSA-N |