2-(azepan-1-yl)-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0274 |
| Compound Name: | 2-(azepan-1-yl)-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 466.46 |
| Molecular Formula: | C21 H24 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)C(O)=O)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5686 |
| logD: | 2.318 |
| logSw: | -4.155 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.22 |
| InChI Key: | RPZVORDAPSMZTE-UHFFFAOYSA-N |