1-[(3-methoxyphenyl)methyl]-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide
Chemical Structure Depiction of
1-[(3-methoxyphenyl)methyl]-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide
1-[(3-methoxyphenyl)methyl]-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0467 |
| Compound Name: | 1-[(3-methoxyphenyl)methyl]-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide |
| Molecular Weight: | 434.46 |
| Molecular Formula: | C23 H25 F3 N2 O3 |
| Smiles: | COc1cccc(CN2C(CCCCC2=O)C(NCc2cccc(c2)C(F)(F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5452 |
| logD: | 3.5452 |
| logSw: | -3.8752 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.936 |
| InChI Key: | HFLQWXLMRZBIQB-FQEVSTJZSA-N |