2-(azepan-1-yl)-5-[(4-bromobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(4-bromobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(4-bromobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0312 |
| Compound Name: | 2-(azepan-1-yl)-5-[(4-bromobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 568.36 |
| Molecular Formula: | C18 H20 Br N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CC1)c1c(cc(cn1)NS(c1ccc(cc1)[Br])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7533 |
| logD: | 3.1457 |
| logSw: | -4.1885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.15 |
| InChI Key: | KQKIGBCNGMXXIZ-UHFFFAOYSA-N |