(3aRS,5SR,5aRS,8aSR,8bRS)-N-(3,4-difluorophenyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Chemical Structure Depiction of
(3aRS,5SR,5aRS,8aSR,8bRS)-N-(3,4-difluorophenyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
(3aRS,5SR,5aRS,8aSR,8bRS)-N-(3,4-difluorophenyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
Compound ID: | D011-1719 |
Compound Name: | (3aRS,5SR,5aRS,8aSR,8bRS)-N-(3,4-difluorophenyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
Molecular Weight: | 385.36 |
Molecular Formula: | C18 H21 F2 N O6 |
Smiles: | CC1(C)O[C@H]2[C@H]([C@@H](C(Nc3ccc(c(c3)F)F)=O)O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.9391 |
logD: | 2.9155 |
logSw: | -3.2396 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.175 |
InChI Key: | WMTXPCWFCVFRIU-USRAEIGSSA-N |