2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-(2-{[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]amino}-2-oxoethyl)acetamide
Chemical Structure Depiction of
2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-(2-{[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]amino}-2-oxoethyl)acetamide
2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-(2-{[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]amino}-2-oxoethyl)acetamide
Compound characteristics
| Compound ID: | Y042-8777 |
| Compound Name: | 2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-(2-{[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]amino}-2-oxoethyl)acetamide |
| Molecular Weight: | 499.56 |
| Molecular Formula: | C26 H33 N3 O7 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCC(NCC(NCC(N1CCC2(CCCCC2C1)O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8301 |
| logD: | 1.8301 |
| logSw: | -2.5544 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.595 |
| InChI Key: | WXQMVDVSDYDVFE-UHFFFAOYSA-N |