N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetamide
Chemical Structure Depiction of
N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetamide
N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y040-2704 |
| Compound Name: | N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C25 H32 N2 O6 |
| Smiles: | CC1=C(C)c2c(cc(C)cc2OC1=O)OCC(NCC(N1CCC2(CCCCC2C1)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.832 |
| logD: | 2.832 |
| logSw: | -3.0098 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.21 |
| InChI Key: | VKNKODLUFKDQOI-UHFFFAOYSA-N |