N-(4-bromophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-bromophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1866 |
| Compound Name: | N-(4-bromophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 348.19 |
| Molecular Formula: | C16 H14 Br N O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3857 |
| logD: | 3.3852 |
| logSw: | -3.6118 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.484 |
| InChI Key: | YANKOWSPVMWOKQ-UHFFFAOYSA-N |