2-(azepan-1-yl)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0343 |
| Compound Name: | 2-(azepan-1-yl)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 502.51 |
| Molecular Formula: | C20 H24 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1ccc(c(c1)C(O)=O)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5904 |
| logD: | 2.4747 |
| logSw: | -4.1135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.779 |
| InChI Key: | PLBUZMDJKRUDIV-UHFFFAOYSA-N |