2-[(4-ethyl-8-methyl-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-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-(2-{[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]amino}-2-oxoethyl)acetamide
2-[(4-ethyl-8-methyl-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: | Y040-8512 |
| Compound Name: | 2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-(2-{[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]amino}-2-oxoethyl)acetamide |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C27 H35 N3 O7 |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2C)OCC(NCC(NCC(N1CCC2(CCCCC2C1)O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2961 |
| logD: | 2.2961 |
| logSw: | -2.9644 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.852 |
| InChI Key: | SNXKESNSEZNQHH-UHFFFAOYSA-N |