5-[(4-bromobenzene-1-sulfonyl)amino]-6-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-bromobenzene-1-sulfonyl)amino]-6-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(4-bromobenzene-1-sulfonyl)amino]-6-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0525 |
| Compound Name: | 5-[(4-bromobenzene-1-sulfonyl)amino]-6-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 570.38 |
| Molecular Formula: | C18 H22 Br N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1c(cc(cn1)C(O)=O)NS(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8041 |
| logD: | 1.2328 |
| logSw: | -4.2064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.659 |
| InChI Key: | XDNJFLHQBFNHNE-UHFFFAOYSA-N |