N-(naphthalen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(naphthalen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(naphthalen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0462 |
| Compound Name: | N-(naphthalen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C20 H17 N O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1ccc2ccccc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7676 |
| logD: | 3.7676 |
| logSw: | -4.2059 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.212 |
| InChI Key: | QCUMEQLRDGCLSW-UHFFFAOYSA-N |