5-[(5-bromothiophene-2-sulfonyl)amino]-2-[butyl(methyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(5-bromothiophene-2-sulfonyl)amino]-2-[butyl(methyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(5-bromothiophene-2-sulfonyl)amino]-2-[butyl(methyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0081 |
| Compound Name: | 5-[(5-bromothiophene-2-sulfonyl)amino]-2-[butyl(methyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 562.38 |
| Molecular Formula: | C15 H18 Br N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1c(cc(cn1)NS(c1ccc(s1)[Br])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0165 |
| logD: | 2.4089 |
| logSw: | -3.8711 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.59 |
| InChI Key: | NQBVGMGCCFRKIA-UHFFFAOYSA-N |