7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-propyl-2H-1-benzopyran-2-one
7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2691 |
| Compound Name: | 7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C23 H29 N O5 |
| Smiles: | CCCC1=CC(=O)Oc2cc(ccc12)OCC(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8495 |
| logD: | 2.8495 |
| logSw: | -3.2221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.138 |
| InChI Key: | XNGDYRYTOUCVKS-UHFFFAOYSA-N |