N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0483 |
| Compound Name: | N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 337.3 |
| Molecular Formula: | C17 H14 F3 N O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5951 |
| logD: | 3.593 |
| logSw: | -3.7703 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.484 |
| InChI Key: | LGIDKBYHTIXVGY-UHFFFAOYSA-N |