3-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-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-oxopropan-2-yl]oxy}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y040-2698 |
| Compound Name: | 3-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 425.52 |
| Molecular Formula: | C25 H31 N O5 |
| Smiles: | CC(C(N1CCC2(CCCCC2C1)O)=O)Oc1ccc2C3CCCCC=3C(=O)Oc2c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6567 |
| logD: | 3.6567 |
| logSw: | -3.9004 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.39 |
| InChI Key: | VQJMILKSUUHGTB-UHFFFAOYSA-N |