rel-(3aR,5R,7aS)-7-[(2,6-difluorophenyl)methoxy]-N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(2,6-difluorophenyl)methoxy]-N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(2,6-difluorophenyl)methoxy]-N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-3072 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(2,6-difluorophenyl)methoxy]-N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 535.59 |
| Molecular Formula: | C28 H35 F2 N O7 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCOC)=O)OCc1cccc(c1)OC)OCc1c(cccc1F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5232 |
| logD: | 4.5232 |
| logSw: | -4.624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.815 |
| InChI Key: | MYFMBRGUHZUYHJ-UYZKLLHOSA-N |