4-butyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-2H-1-benzopyran-2-one
4-butyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-0676 |
| Compound Name: | 4-butyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 413.51 |
| Molecular Formula: | C24 H31 N O5 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3296 |
| logD: | 3.3296 |
| logSw: | -3.5956 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.138 |
| InChI Key: | AMLPSGUKUMITKQ-UHFFFAOYSA-N |