7-butoxy-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-butoxy-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-1-benzopyran-2-one
7-butoxy-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2723 |
| Compound Name: | 7-butoxy-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C26 H35 N O5 |
| Smiles: | CCCCOc1ccc2C(C)=C(CC(N3CCC4(CCCCC4C3)O)=O)C(=O)Oc2c1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7795 |
| logD: | 4.7795 |
| logSw: | -4.5367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.342 |
| InChI Key: | NHFAXISHLPUFFJ-UHFFFAOYSA-N |