1-methyl-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide
Chemical Structure Depiction of
1-methyl-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide
1-methyl-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0055 |
| Compound Name: | 1-methyl-7-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}azepane-2-carboxamide |
| Molecular Weight: | 328.33 |
| Molecular Formula: | C16 H19 F3 N2 O2 |
| Smiles: | CN1C(CCCCC1=O)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8286 |
| logD: | 1.8286 |
| logSw: | -2.0698 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.43 |
| InChI Key: | AHQAGWMRDXGBCA-ZDUSSCGKSA-N |