1-[(3-methoxyphenyl)methyl]-7-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}azepane-2-carboxamide
Chemical Structure Depiction of
1-[(3-methoxyphenyl)methyl]-7-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}azepane-2-carboxamide
1-[(3-methoxyphenyl)methyl]-7-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}azepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0475 |
| Compound Name: | 1-[(3-methoxyphenyl)methyl]-7-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}azepane-2-carboxamide |
| Molecular Weight: | 450.46 |
| Molecular Formula: | C23 H25 F3 N2 O4 |
| Smiles: | COc1cccc(CN2C(CCCCC2=O)C(NCc2ccc(cc2)OC(F)(F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9377 |
| logD: | 3.9377 |
| logSw: | -4.0836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.873 |
| InChI Key: | JAUCTQKNKHVZKB-FQEVSTJZSA-N |