(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-{3-oxo-3-[(1,3-thiazol-2-yl)amino]propyl}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-{3-oxo-3-[(1,3-thiazol-2-yl)amino]propyl}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-{3-oxo-3-[(1,3-thiazol-2-yl)amino]propyl}tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | 4602-0016 |
| Compound Name: | (3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-{3-oxo-3-[(1,3-thiazol-2-yl)amino]propyl}tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C18 H25 N3 O7 S |
| Smiles: | CC1(C)O[C@H]2[C@H](C(C(NCCC(Nc3nccs3)=O)=O)O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8981 |
| logD: | 0.897 |
| logSw: | -1.9963 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.966 |
| InChI Key: | QBKNZJCSBINFFI-WZPWUYSLSA-N |