3-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]oxy}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]oxy}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]oxy}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y042-8768 |
| Compound Name: | 3-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]oxy}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C26 H33 N O5 |
| Smiles: | CCC(C(N1CCC2(CCCCC2C1)O)=O)Oc1ccc2C3CCCCC=3C(=O)Oc2c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2855 |
| logD: | 4.2855 |
| logSw: | -4.2062 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.273 |
| InChI Key: | MICDTNYKBXNWCV-UHFFFAOYSA-N |