4-(5',6'-dimethoxy-4-oxo-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-1'-yl)-4-oxobutanoic acid
Chemical Structure Depiction of
4-(5',6'-dimethoxy-4-oxo-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-1'-yl)-4-oxobutanoic acid
4-(5',6'-dimethoxy-4-oxo-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-1'-yl)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 6944-0123 |
| Compound Name: | 4-(5',6'-dimethoxy-4-oxo-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-1'-yl)-4-oxobutanoic acid |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C22 H23 N O6 |
| Smiles: | COc1cc2CCN(C3CC4(C=CC(C=C4)=O)c(c23)c1OC)C(CCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9175 |
| logD: | -2.0319 |
| logSw: | -1.5881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.937 |
| InChI Key: | QOCWNMNPHQHQTM-OAHLLOKOSA-N |