(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-(2-oxo-2-{4-[(pyridin-2-yl)sulfamoyl]anilino}ethyl)tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Chemical Structure Depiction of
(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-(2-oxo-2-{4-[(pyridin-2-yl)sulfamoyl]anilino}ethyl)tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-(2-oxo-2-{4-[(pyridin-2-yl)sulfamoyl]anilino}ethyl)tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | 4200-0018 |
| Compound Name: | (3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-(2-oxo-2-{4-[(pyridin-2-yl)sulfamoyl]anilino}ethyl)tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 562.6 |
| Molecular Formula: | C25 H30 N4 O9 S |
| Smiles: | CC1(C)O[C@H]2[C@H](C(C(NCC(Nc3ccc(cc3)S(Nc3ccccn3)(=O)=O)=O)=O)O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7676 |
| logD: | 1.614 |
| logSw: | -2.7705 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 137.911 |
| InChI Key: | NEZKPXFSPBYPFW-BKXCUBQQSA-N |