5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0556 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 533.52 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1c(cc(cn1)NS(c1ccc(cc1)C(C)=O)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6423 |
| logD: | 2.0347 |
| logSw: | -3.6523 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.183 |
| InChI Key: | VJQUZLFVWCVJOX-UHFFFAOYSA-N |