6-(azocan-1-yl)-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-(azocan-1-yl)-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-(azocan-1-yl)-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0669 |
| Compound Name: | 6-(azocan-1-yl)-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.42 |
| Molecular Formula: | C17 H20 Br N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CCC1)c1c(cc(cn1)C(O)=O)NS(c1ccc(s1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9706 |
| logD: | 2.4133 |
| logSw: | -4.2622 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.471 |
| InChI Key: | DDMCFKIBYZVFRB-UHFFFAOYSA-N |