7-bromo-N-[3-(trifluoromethyl)phenyl]-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-[3-(trifluoromethyl)phenyl]-1-benzoxepine-4-carboxamide
7-bromo-N-[3-(trifluoromethyl)phenyl]-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0336 |
| Compound Name: | 7-bromo-N-[3-(trifluoromethyl)phenyl]-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 410.19 |
| Molecular Formula: | C18 H11 Br F3 N O2 |
| Smiles: | C1=COc2ccc(cc2C=C1C(Nc1cccc(c1)C(F)(F)F)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8634 |
| logD: | 5.8622 |
| logSw: | -6.1476 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9542 |
| InChI Key: | YNPOOPZIPWHACH-UHFFFAOYSA-N |