rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[4-(propan-2-yl)phenyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[4-(propan-2-yl)phenyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[4-(propan-2-yl)phenyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | D011-1692 |
| Compound Name: | rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[4-(propan-2-yl)phenyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 391.46 |
| Molecular Formula: | C21 H29 N O6 |
| Smiles: | CC(C)c1ccc(cc1)NC([C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(C)(C)O3)OC(C)(C)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9207 |
| logD: | 3.9207 |
| logSw: | -3.9641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.175 |
| InChI Key: | WNRQOFLAVKWMII-QLCXLMDBSA-N |