7-[(3,4-dichlorophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one
7-[(3,4-dichlorophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-8560 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 544.48 |
| Molecular Formula: | C29 H31 Cl2 N O5 |
| Smiles: | CC1=C(CCC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2cc(ccc12)OCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7343 |
| logD: | 5.7343 |
| logSw: | -5.5234 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.381 |
| InChI Key: | OUBKRVAYCSNOJQ-UHFFFAOYSA-N |