2-(azepan-1-yl)-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0280 |
| Compound Name: | 2-(azepan-1-yl)-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 482.46 |
| Molecular Formula: | C21 H24 N2 O4 |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)C(Nc1ccc(c(c1)C(O)=O)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.332 |
| logD: | 2.0814 |
| logSw: | -4.1243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.764 |
| InChI Key: | DZQHHPLUVRZACV-UHFFFAOYSA-N |