rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-7-[(2,6-difluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-7-[(2,6-difluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-7-[(2,6-difluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
Compound ID: | V026-0853 |
Compound Name: | rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-7-[(2,6-difluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
Molecular Weight: | 515.6 |
Molecular Formula: | C29 H35 F2 N O5 |
Smiles: | Cc1cccc(CO[C@@]2(CC([C@H]3[C@@H](C2)OC(C)(C)O3)OCc2c(cccc2F)F)C(NCC2CC2)=O)c1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.9522 |
logD: | 5.9522 |
logSw: | -5.5313 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.339 |
InChI Key: | FWEWPRFRWGDVJJ-CIIYXKIESA-N |