rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[(1-pentyl-1H-benzimidazol-2-yl)methyl]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-[(1-pentyl-1H-benzimidazol-2-yl)methyl]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-[(1-pentyl-1H-benzimidazol-2-yl)methyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | 5576-0023 |
| Compound Name: | rel-(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[(1-pentyl-1H-benzimidazol-2-yl)methyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C25 H35 N3 O6 |
| Smiles: | CCCCCn1c2ccccc2nc1CNC([C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(C)(C)O3)OC(C)(C)O2)=O |
| Stereo: | RELATIVE |
| logP: | 4.1222 |
| logD: | 4.1221 |
| logSw: | -3.929 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.652 |
| InChI Key: | XPBUROMIJTVLJO-UNRHHUQTSA-N |