3-[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
Chemical Structure Depiction of
3-[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
3-[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
Compound characteristics
| Compound ID: | Y043-3839 |
| Compound Name: | 3-[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C21 H20 Cl N O5 |
| Smiles: | COc1cc2CC(N(Cc3cc(cc4COCOc34)[Cl])C=Cc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.79 |
| logD: | 2.79 |
| logSw: | -3.456 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.44 |
| InChI Key: | IPBBHZRHDGDIDR-UHFFFAOYSA-N |