2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(2RS)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]acetamide
Chemical Structure Depiction of
2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(2RS)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]acetamide
2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(2RS)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]acetamide
Compound characteristics
| Compound ID: | Y042-8773 |
| Compound Name: | 2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(2RS)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]acetamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C25 H32 N2 O6 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OCC(N[C@@H](C)C(N1CCC2(CCCCC2C1)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0449 |
| logD: | 2.0449 |
| logSw: | -2.8157 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.3 |
| InChI Key: | TUQRAKNQXONODX-GSRCONFASA-N |