N-(naphthalen-1-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(naphthalen-1-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(naphthalen-1-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0461 |
| Compound Name: | N-(naphthalen-1-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C20 H17 N O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3191 |
| logD: | 3.319 |
| logSw: | -3.6629 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.514 |
| InChI Key: | ONYIFCJBOUCBJQ-UHFFFAOYSA-N |