N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamide
Compound characteristics
| Compound ID: | Y043-5692 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamide |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C23 H24 N2 O6 |
| Smiles: | COc1cc2CC(N(CCC(NCc3ccc4c(c3)OCO4)=O)C=Cc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6628 |
| logD: | 1.6628 |
| logSw: | -2.1828 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.116 |
| InChI Key: | XIYBELKAWWEAQU-UHFFFAOYSA-N |