N-[4-(morpholin-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[4-(morpholin-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[4-(morpholin-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0452 |
| Compound Name: | N-[4-(morpholin-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C20 H22 N2 O4 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1ccc(cc1)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2708 |
| logD: | 2.2705 |
| logSw: | -3.0798 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.845 |
| InChI Key: | OOWOBLKLTSAJQQ-UHFFFAOYSA-N |