3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
Chemical Structure Depiction of
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
Compound characteristics
| Compound ID: | Y042-1457 |
| Compound Name: | 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C23 H24 N2 O4 |
| Smiles: | COc1cc2CC(N(CC(N3CCc4ccccc4C3)=O)C=Cc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9076 |
| logD: | 1.9076 |
| logSw: | -2.6174 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.605 |
| InChI Key: | ZKFVLLDRGUVNRK-UHFFFAOYSA-N |