rel-(3aR,5R,7aS)-7-[(2,3-difluorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(2,3-difluorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(2,3-difluorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V009-6371 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(2,3-difluorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 532.63 |
| Molecular Formula: | C29 H38 F2 N2 O5 |
| Smiles: | Cc1cccc(CO[C@@]2(CC([C@H]3[C@@H](C2)OC(C)(C)O3)OCc2cccc(c2F)F)C(NCCN(C)C)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2979 |
| logD: | 3.5517 |
| logSw: | -5.286 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.795 |
| InChI Key: | CREDEHYLKGYSHX-YRQGFPBVSA-N |