N-[4-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
Chemical Structure Depiction of
N-[4-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
N-[4-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y042-8778 |
| Compound Name: | N-[4-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C27 H36 N2 O6 |
| Smiles: | CC1=C(C)c2ccc(c(C)c2OC1=O)OCC(NCCCC(N1CCC2(CCCCC2C1)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4309 |
| logD: | 2.4309 |
| logSw: | -2.9641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.736 |
| InChI Key: | BFHXQUSBMKFWAJ-UHFFFAOYSA-N |