2-(azepan-1-yl)-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0329 |
| Compound Name: | 2-(azepan-1-yl)-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 553.94 |
| Molecular Formula: | C19 H22 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1[Cl])S(Nc1cc(C(O)=O)c(nc1)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0996 |
| logD: | 2.4921 |
| logSw: | -4.1764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.781 |
| InChI Key: | WFNVQDFZTNWZPM-UHFFFAOYSA-N |