5-[(4-acetylbenzene-1-sulfonyl)amino]-2-(azepan-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-(azepan-1-yl)benzoic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-(azepan-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0346 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-(azepan-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 530.52 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8039 |
| logD: | 1.6882 |
| logSw: | -3.8029 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.605 |
| InChI Key: | WBKYFFDVOXOBRH-UHFFFAOYSA-N |