N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamide
Chemical Structure Depiction of
N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamide
N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y040-2705 |
| Compound Name: | N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamide |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C25 H30 N2 O6 |
| Smiles: | C1CCC2(CCN(CC2C1)C(CNC(COc1ccc2C3CCCC=3C(=O)Oc2c1)=O)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9324 |
| logD: | 1.9324 |
| logSw: | -2.7043 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.41 |
| InChI Key: | RPCOITVKNIIBGJ-UHFFFAOYSA-N |