(3aRS,5SR,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-[3-(trifluoromethyl)phenyl]tetrahydro-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)-2,2,7,7-tetramethyl-N-[3-(trifluoromethyl)phenyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
(3aRS,5SR,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-[3-(trifluoromethyl)phenyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | D011-2521 |
| Compound Name: | (3aRS,5SR,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-[3-(trifluoromethyl)phenyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 417.38 |
| Molecular Formula: | C19 H22 F3 N O6 |
| Smiles: | CC1(C)O[C@H]2[C@H]([C@@H](C(Nc3cccc(c3)C(F)(F)F)=O)O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6258 |
| logD: | 3.6244 |
| logSw: | -3.7857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.175 |
| InChI Key: | JPMRKXGFGGGORQ-USRAEIGSSA-N |