methyl 2-{[(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
methyl 2-{[(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
methyl 2-{[(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: | D011-1714 |
| Compound Name: | methyl 2-{[(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: | 407.42 |
| Molecular Formula: | C20 H25 N O8 |
| Smiles: | CC1(C)O[C@H]2[C@H]([C@@H](C(Nc3ccccc3C(=O)OC)=O)O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6057 |
| logD: | 2.5661 |
| logSw: | -3.2184 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.651 |
| InChI Key: | CPGSEYHVBKEJHT-KAYRBKQESA-N |