7-{[1-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-3,4,8-trimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[1-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-3,4,8-trimethyl-2H-1-benzopyran-2-one
7-{[1-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-3,4,8-trimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2694 |
| Compound Name: | 7-{[1-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-3,4,8-trimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C30 H35 N O5 |
| Smiles: | CC(C(N1CCC2(CCCCC2C1c1ccccc1)O)=O)Oc1ccc2C(C)=C(C)C(=O)Oc2c1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6109 |
| logD: | 5.6109 |
| logSw: | -5.2626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.553 |
| InChI Key: | ZPVWEGDUMYPORE-UHFFFAOYSA-N |