N-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1867 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 321.73 |
| Molecular Formula: | C16 H13 Cl F N O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3719 |
| logD: | 3.334 |
| logSw: | -3.7259 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.786 |
| InChI Key: | LAVUERSLFPUQCO-UHFFFAOYSA-N |