3-{2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
Chemical Structure Depiction of
3-{2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
3-{2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
Compound characteristics
| Compound ID: | Y042-1462 |
| Compound Name: | 3-{2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one |
| Molecular Weight: | 490.39 |
| Molecular Formula: | C24 H25 Cl2 N3 O4 |
| Smiles: | COc1cc2CC(N(CC(N3CCN(CC3)c3ccc(c(c3)[Cl])[Cl])=O)C=Cc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8684 |
| logD: | 2.8684 |
| logSw: | -3.3706 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.204 |
| InChI Key: | TXMXSWYVWBAWQB-UHFFFAOYSA-N |