N-(4-chlorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-chlorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0459 |
| Compound Name: | N-(4-chlorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 303.74 |
| Molecular Formula: | C16 H14 Cl N O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1465 |
| logD: | 3.146 |
| logSw: | -3.6379 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.484 |
| InChI Key: | GBXBKDPBOJIQLK-UHFFFAOYSA-N |