3-benzyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
3-benzyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-8766 |
| Compound Name: | 3-benzyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C28 H31 N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8904 |
| logD: | 3.8904 |
| logSw: | -4.0524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.381 |
| InChI Key: | GBHPWWJUMFPQSY-UHFFFAOYSA-N |