7-[(2,5-dimethylphenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(2,5-dimethylphenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-1-benzopyran-2-one
7-[(2,5-dimethylphenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2718 |
| Compound Name: | 7-[(2,5-dimethylphenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C30 H35 N O5 |
| Smiles: | CC1=C(CC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2cc(ccc12)OCc1cc(C)ccc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2663 |
| logD: | 5.2663 |
| logSw: | -4.9683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.381 |
| InChI Key: | ZAGYULRRGSGPJG-UHFFFAOYSA-N |