(3aRS,5SR,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | D011-1756 |
| Compound Name: | (3aRS,5SR,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-[(4-methylphenyl)methyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C20 H27 N O6 |
| Smiles: | Cc1ccc(CNC([C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(C)(C)O4)OC(C)(C)O3)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5232 |
| logD: | 2.5232 |
| logSw: | -2.755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.497 |
| InChI Key: | RZDHIDPPBXHMMS-KCYAQADSSA-N |