rel-(3aR,5S,5aR,8aS,8bR)-N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-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
rel-(3aR,5S,5aR,8aS,8bR)-N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
rel-(3aR,5S,5aR,8aS,8bR)-N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-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: | 5576-0024 |
| Compound Name: | rel-(3aR,5S,5aR,8aS,8bR)-N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C27 H31 N3 O6 |
| Smiles: | CC1(C)O[C@H]2[C@H]([C@@H](C(NCc3nc4ccccc4n3Cc3ccccc3)=O)O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7633 |
| logD: | 3.7631 |
| logSw: | -3.9467 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.402 |
| InChI Key: | AFLDIEBONGPEDQ-WRDBPHBTSA-N |