ethyl 4-{[(3aRS,5SR,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(3aRS,5SR,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl]amino}benzoate
ethyl 4-{[(3aRS,5SR,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D011-2538 |
| Compound Name: | ethyl 4-{[(3aRS,5SR,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl]amino}benzoate |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C21 H27 N O8 |
| Smiles: | CCOC(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)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1839 |
| logD: | 3.1837 |
| logSw: | -3.1534 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.928 |
| InChI Key: | NMMJQMRQMYERHR-MZZPOWALSA-N |