7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-8-methyl-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-8-methyl-4-propyl-2H-1-benzopyran-2-one
7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-8-methyl-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-0674 |
| Compound Name: | 7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-8-methyl-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C25 H33 N O5 |
| Smiles: | CCCC1=CC(=O)Oc2c1ccc(c2C)OC(C)C(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1295 |
| logD: | 4.1295 |
| logSw: | -4.137 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.726 |
| InChI Key: | HHJIRPBCFIQOJU-UHFFFAOYSA-N |