1-benzyl-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide
Chemical Structure Depiction of
1-benzyl-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide
1-benzyl-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0596 |
| Compound Name: | 1-benzyl-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide |
| Molecular Weight: | 404.43 |
| Molecular Formula: | C22 H23 F3 N2 O2 |
| Smiles: | C1CCC(N(Cc2ccccc2)C(C1)C(NCc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4898 |
| logD: | 3.4898 |
| logSw: | -3.8281 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.393 |
| InChI Key: | ZFNNGHCZLKVMQL-IBGZPJMESA-N |