N-[(furan-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(furan-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0427 |
| Compound Name: | N-[(furan-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 273.29 |
| Molecular Formula: | C15 H15 N O4 |
| Smiles: | C1COc2ccc(cc2OC1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9684 |
| logD: | 1.9684 |
| logSw: | -2.3821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.555 |
| InChI Key: | YCKXXITYPUJQKW-UHFFFAOYSA-N |