1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(naphthalen-1-yl)-3-(1H-pyrrol-1-yl)propan-1-one
Chemical Structure Depiction of
1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(naphthalen-1-yl)-3-(1H-pyrrol-1-yl)propan-1-one
1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(naphthalen-1-yl)-3-(1H-pyrrol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y044-4984 |
| Compound Name: | 1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(naphthalen-1-yl)-3-(1H-pyrrol-1-yl)propan-1-one |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C26 H30 N2 O2 |
| Smiles: | C1CCC2(CCN(CC2C1)C(CC(c1cccc2ccccc12)n1cccc1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5818 |
| logD: | 4.5818 |
| logSw: | -4.5055 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.482 |
| InChI Key: | QOWFWBDEKGRBJK-UHFFFAOYSA-N |