N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-(2-fluorophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-(2-fluorophenyl)prop-2-enamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-(2-fluorophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | J031-1108 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-(2-fluorophenyl)prop-2-enamide |
| Molecular Weight: | 327.35 |
| Molecular Formula: | C19 H18 F N O3 |
| Smiles: | C1COc2ccc(CNC(/C=C/c3ccccc3F)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9727 |
| logD: | 2.9727 |
| logSw: | -3.124 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.592 |
| InChI Key: | JGUCSXHOFRAOQB-UHFFFAOYSA-N |