N-(4-cyanophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-cyanophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1844 |
| Compound Name: | N-(4-cyanophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 294.31 |
| Molecular Formula: | C17 H14 N2 O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2062 |
| logD: | 2.2048 |
| logSw: | -2.9994 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.54 |
| InChI Key: | NLCPSSQGLZYWQM-UHFFFAOYSA-N |