2-(azepan-1-yl)-5-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0271 |
| Compound Name: | 2-(azepan-1-yl)-5-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 486.87 |
| Molecular Formula: | C20 H21 Cl N2 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9444 |
| logD: | 2.6937 |
| logSw: | -4.7793 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.22 |
| InChI Key: | VNMSBAOQHCTJMY-UHFFFAOYSA-N |