2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]acetamide
Chemical Structure Depiction of
2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]acetamide
2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]acetamide
Compound characteristics
| Compound ID: | Y040-8521 |
| Compound Name: | 2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]acetamide |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C28 H38 N2 O6 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCC(NCCC(N1CCC2(CCCCC2C1)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0201 |
| logD: | 3.0201 |
| logSw: | -3.3809 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.222 |
| InChI Key: | OHHGAKQLCZCHGB-UHFFFAOYSA-N |