7-[(2,4-difluorophenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(2,4-difluorophenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-1-benzopyran-2-one
7-[(2,4-difluorophenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-8536 |
| Compound Name: | 7-[(2,4-difluorophenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 511.57 |
| Molecular Formula: | C29 H31 F2 N O5 |
| Smiles: | CC1=C(CC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9399 |
| logD: | 4.9399 |
| logSw: | -4.6064 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.152 |
| InChI Key: | DMDHAHVKAKYSCP-UHFFFAOYSA-N |