2-(azepan-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0341 |
| Compound Name: | 2-(azepan-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.55 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1cc(C(O)=O)c(nc1)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2574 |
| logD: | 3.6498 |
| logSw: | -4.7448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.15 |
| InChI Key: | CCCUEFUNQLENIO-UHFFFAOYSA-N |