4-ethyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-ethyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2H-1-benzopyran-2-one
4-ethyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-8762 |
| Compound Name: | 4-ethyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 413.51 |
| Molecular Formula: | C24 H31 N O5 |
| Smiles: | CCC1=CC(=O)Oc2cc(C)cc(c12)OC(C)C(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.766 |
| logD: | 3.766 |
| logSw: | -4.0626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.042 |
| InChI Key: | VCBYYOYUJKKMIP-UHFFFAOYSA-N |