N-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]acetamide
Chemical Structure Depiction of
N-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]acetamide
N-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y040-8519 |
| Compound Name: | N-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]acetamide |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C27 H36 N2 O6 |
| Smiles: | CCCC1=CC(=O)Oc2cc(C)cc(c12)OCC(NCCC(N1CCC2(CCCCC2C1)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6784 |
| logD: | 2.6784 |
| logSw: | -2.9203 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.537 |
| InChI Key: | QBVWBLAHPAITMF-UHFFFAOYSA-N |