3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-[(2-methoxyphenyl)methoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-[(2-methoxyphenyl)methoxy]-4-methyl-2H-1-benzopyran-2-one
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-[(2-methoxyphenyl)methoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2719 |
| Compound Name: | 3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-[(2-methoxyphenyl)methoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C29 H33 N O6 |
| Smiles: | CC1=C(CC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2cc(ccc12)OCc1ccccc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.163 |
| logD: | 4.163 |
| logSw: | -4.3296 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.011 |
| InChI Key: | INJWYKXINWTLFR-UHFFFAOYSA-N |