N-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0468 |
| Compound Name: | N-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C18 H19 N O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1513 |
| logD: | 2.1513 |
| logSw: | -2.868 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.647 |
| InChI Key: | YJXZIXCBVKMSJR-UHFFFAOYSA-N |