N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-phenylprop-2-enamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | J031-1092 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-phenylprop-2-enamide |
| Molecular Weight: | 309.36 |
| Molecular Formula: | C19 H19 N O3 |
| Smiles: | C1COc2ccc(CNC(/C=C/c3ccccc3)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9216 |
| logD: | 2.9216 |
| logSw: | -3.1758 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.592 |
| InChI Key: | CUZXYNXJNJXRHV-UHFFFAOYSA-N |