8-methoxy-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methoxy-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methoxy-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0644 |
| Compound Name: | 8-methoxy-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 367.32 |
| Molecular Formula: | C18 H16 F3 N O4 |
| Smiles: | COc1cc2c(cc1C(Nc1cccc(c1)C(F)(F)F)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.803 |
| logD: | 3.7646 |
| logSw: | -4.089 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | YIZYBEIRWUXUBD-UHFFFAOYSA-N |