2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]acetamide
Chemical Structure Depiction of
2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]acetamide
2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]acetamide
Compound characteristics
| Compound ID: | Y040-8507 |
| Compound Name: | 2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]acetamide |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C24 H30 N2 O6 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OCC(NCC(N1CCC2(CCCCC2C1)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9518 |
| logD: | 1.9518 |
| logSw: | -2.7082 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.609 |
| InChI Key: | FTHXNBPWNYRIIN-UHFFFAOYSA-N |