4-butyl-7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-8-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-8-methyl-2H-1-benzopyran-2-one
4-butyl-7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-8-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-0678 |
| Compound Name: | 4-butyl-7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-8-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C26 H35 N O5 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(C)C(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6096 |
| logD: | 4.6096 |
| logSw: | -4.4084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.726 |
| InChI Key: | CYAGVRAVQLXTFP-UHFFFAOYSA-N |