7,8-dimethoxy-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydro-2H-3-benzazepin-2-one
Chemical Structure Depiction of
7,8-dimethoxy-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydro-2H-3-benzazepin-2-one
7,8-dimethoxy-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydro-2H-3-benzazepin-2-one
Compound characteristics
| Compound ID: | Y043-5694 |
| Compound Name: | 7,8-dimethoxy-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydro-2H-3-benzazepin-2-one |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C25 H29 N3 O4 |
| Smiles: | COc1cc2CC(N(CCC(N3CCN(CC3)c3ccccc3)=O)C=Cc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.831 |
| logD: | 1.8309 |
| logSw: | -2.1555 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.182 |
| InChI Key: | IHSZILOBMDLZOI-UHFFFAOYSA-N |