1'-benzoyl-5',6'-dimethoxy-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
Chemical Structure Depiction of
1'-benzoyl-5',6'-dimethoxy-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
1'-benzoyl-5',6'-dimethoxy-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
Compound characteristics
| Compound ID: | 6944-0121 |
| Compound Name: | 1'-benzoyl-5',6'-dimethoxy-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C25 H23 N O4 |
| Smiles: | COc1cc2CCN(C3CC4(C=CC(C=C4)=O)c(c23)c1OC)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9037 |
| logD: | 2.9037 |
| logSw: | -3.324 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.809 |
| InChI Key: | JSRKXRYSCMSCML-LJQANCHMSA-N |