3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-1-benzopyran-2-one
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-8541 |
| Compound Name: | 3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 565.66 |
| Molecular Formula: | C32 H39 N O8 |
| Smiles: | CC1=C(CC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2c1ccc(c2C)OCc1cc(c(c(c1)OC)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.508 |
| logD: | 4.508 |
| logSw: | -4.5324 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.129 |
| InChI Key: | GKONWEVJMOMYAD-UHFFFAOYSA-N |