6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,9-trimethyl-3-phenyl-7H-furo[3,2-g][1]benzopyran-7-one
Chemical Structure Depiction of
6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,9-trimethyl-3-phenyl-7H-furo[3,2-g][1]benzopyran-7-one
6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,9-trimethyl-3-phenyl-7H-furo[3,2-g][1]benzopyran-7-one
Compound characteristics
| Compound ID: | Y040-2716 |
| Compound Name: | 6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,9-trimethyl-3-phenyl-7H-furo[3,2-g][1]benzopyran-7-one |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C31 H33 N O5 |
| Smiles: | CC1=C(CC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2c1cc1c(c3ccccc3)c(C)oc1c2C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5698 |
| logD: | 5.5698 |
| logSw: | -5.4417 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.746 |
| InChI Key: | FPQJLBVHMGBSFN-UHFFFAOYSA-N |