3-benzyl-5-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,7-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-5-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,7-dimethyl-2H-1-benzopyran-2-one
3-benzyl-5-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,7-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-8771 |
| Compound Name: | 3-benzyl-5-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,7-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C29 H33 N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)cc(c12)OCC(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6541 |
| logD: | 4.6541 |
| logSw: | -4.6792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.467 |
| InChI Key: | SMAMWJVHQXCGFW-UHFFFAOYSA-N |