N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanamide
Chemical Structure Depiction of
N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanamide
N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanamide
Compound characteristics
| Compound ID: | Y040-2712 |
| Compound Name: | N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanamide |
| Molecular Weight: | 496.6 |
| Molecular Formula: | C28 H36 N2 O6 |
| Smiles: | CC(C(NCC(N1CCC2(CCCCC2C1)O)=O)=O)Oc1cc(C)cc2c1C1CCCCC=1C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7441 |
| logD: | 3.7441 |
| logSw: | -4.0346 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.634 |
| InChI Key: | PMSDGSYVHUPNDU-UHFFFAOYSA-N |