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
5',6'-dimethoxy-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
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: | 0080-0013 |
| Compound Name: | 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: | 297.35 |
| Molecular Formula: | C18 H19 N O3 |
| Smiles: | COc1cc2CCNC3CC4(C=CC(C=C4)=O)c(c23)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0754 |
| logD: | -0.9459 |
| logSw: | -1.7366 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.231 |
| InChI Key: | OGJKMZVUJJYWKO-CYBMUJFWSA-N |