1'-acetyl-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'-acetyl-5',6'-dimethoxy-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
1'-acetyl-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: | 0080-0031 |
| Compound Name: | 1'-acetyl-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: | 339.39 |
| Molecular Formula: | C20 H21 N O4 |
| Smiles: | CC(N1CCc2cc(c(c3c2C1CC31C=CC(C=C1)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4007 |
| logD: | 1.4007 |
| logSw: | -1.7977 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.548 |
| InChI Key: | QHDTTYCECGBECX-OAHLLOKOSA-N |