1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-[1-(1H-pyrrol-1-yl)cyclohexyl]ethan-1-one
Chemical Structure Depiction of
1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-[1-(1H-pyrrol-1-yl)cyclohexyl]ethan-1-one
1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-[1-(1H-pyrrol-1-yl)cyclohexyl]ethan-1-one
Compound characteristics
| Compound ID: | Y043-5759 |
| Compound Name: | 1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-[1-(1H-pyrrol-1-yl)cyclohexyl]ethan-1-one |
| Molecular Weight: | 344.5 |
| Molecular Formula: | C21 H32 N2 O2 |
| Smiles: | C1CCC(CC1)(CC(N1CCC2(CCCCC2C1)O)=O)n1cccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4547 |
| logD: | 3.4547 |
| logSw: | -3.3074 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.998 |
| InChI Key: | UWJIZZKSAFJHHX-UHFFFAOYSA-N |