3-benzyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-4,7-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-4,7-dimethyl-2H-1-benzopyran-2-one
3-benzyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-4,7-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2703 |
| Compound Name: | 3-benzyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-4,7-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C30 H35 N O5 |
| Smiles: | CC(C(N1CCC2(CCCCC2C1)O)=O)Oc1cc(C)cc2c1C(C)=C(Cc1ccccc1)C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3627 |
| logD: | 5.3627 |
| logSw: | -5.2602 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.285 |
| InChI Key: | CPVKNKCKVVLCRB-UHFFFAOYSA-N |