3-hexyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
3-hexyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-8505 |
| Compound Name: | 3-hexyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 469.62 |
| Molecular Formula: | C28 H39 N O5 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(C)c2OC1=O)OCC(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6372 |
| logD: | 5.6372 |
| logSw: | -5.1764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.423 |
| InChI Key: | WYHIJADFABYGQF-UHFFFAOYSA-N |