3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2H-1-benzopyran-2-one
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-8538 |
| Compound Name: | 3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 539.67 |
| Molecular Formula: | C34 H37 N O5 |
| Smiles: | CC1=C(CC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2c1ccc(c2C)OCc1c(C)ccc2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5658 |
| logD: | 6.5658 |
| logSw: | -6.4409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.88 |
| InChI Key: | VVZDEZMWLJCEFC-UHFFFAOYSA-N |