6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(3-methoxyphenyl)-5-methyl-7H-furo[3,2-g][1]benzopyran-7-one
Chemical Structure Depiction of
6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(3-methoxyphenyl)-5-methyl-7H-furo[3,2-g][1]benzopyran-7-one
6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(3-methoxyphenyl)-5-methyl-7H-furo[3,2-g][1]benzopyran-7-one
Compound characteristics
| Compound ID: | Y040-8543 |
| Compound Name: | 6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(3-methoxyphenyl)-5-methyl-7H-furo[3,2-g][1]benzopyran-7-one |
| Molecular Weight: | 501.58 |
| Molecular Formula: | C30 H31 N O6 |
| Smiles: | CC1=C(CC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2cc3c(cc12)c(co3)c1cccc(c1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9522 |
| logD: | 4.9522 |
| logSw: | -4.6596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.985 |
| InChI Key: | KLYCQMTVPQUKTI-UHFFFAOYSA-N |