7,8-dimethoxy-3-(3-oxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl)-1,3-dihydro-2H-3-benzazepin-2-one
Chemical Structure Depiction of
7,8-dimethoxy-3-(3-oxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl)-1,3-dihydro-2H-3-benzazepin-2-one
7,8-dimethoxy-3-(3-oxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl)-1,3-dihydro-2H-3-benzazepin-2-one
Compound characteristics
| Compound ID: | IB07-6592 |
| Compound Name: | 7,8-dimethoxy-3-(3-oxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl)-1,3-dihydro-2H-3-benzazepin-2-one |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C28 H33 N3 O4 |
| Smiles: | COc1cc2CC(N(CCC(N3CCN(CC3)C/C=C/c3ccccc3)=O)C=Cc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.31 |
| logD: | 2.29 |
| logSw: | -3.22 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 93.67 |
| InChI Key: | XVBDPLXOODAQGD-UHFFFAOYSA-N |