7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2688 |
| Compound Name: | 7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C22 H27 N O5 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2C)OCC(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5089 |
| logD: | 2.5089 |
| logSw: | -2.8096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.909 |
| InChI Key: | PCCSQTIJPCBNTJ-UHFFFAOYSA-N |