6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Chemical Structure Depiction of
6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one
Compound characteristics
| Compound ID: | Y040-2714 |
| Compound Name: | 6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,3,5-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C25 H29 N O5 |
| Smiles: | CC1=C(CC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2cc3c(cc12)c(C)c(C)o3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.941 |
| logD: | 3.941 |
| logSw: | -3.9839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.1 |
| InChI Key: | QPCFNSJCDAOKDN-UHFFFAOYSA-N |