N-(4-cyanophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-cyanophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1944 |
| Compound Name: | N-(4-cyanophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C18 H16 N2 O4 |
| Smiles: | COc1cc2c(cc1C(Nc1ccc(C#N)cc1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.4142 |
| logD: | 2.3877 |
| logSw: | -3.1525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.17 |
| InChI Key: | MYSJYKCDDLIPPY-UHFFFAOYSA-N |