N-(2-chlorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(2-chlorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0486 |
| Compound Name: | N-(2-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(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8008 |
| logD: | 2.8002 |
| logSw: | -3.3571 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.786 |
| InChI Key: | MYMQPDDJKPBRDE-UHFFFAOYSA-N |