rel-(3aR,5S,5aR,8aS,8bR)-N-(3-methoxyphenyl)-2,2,7,7-tetramethyltetrahydro-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)-N-(3-methoxyphenyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
rel-(3aR,5S,5aR,8aS,8bR)-N-(3-methoxyphenyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | D011-1703 |
| Compound Name: | rel-(3aR,5S,5aR,8aS,8bR)-N-(3-methoxyphenyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C19 H25 N O7 |
| Smiles: | CC1(C)O[C@H]2[C@H]([C@@H](C(Nc3cccc(c3)OC)=O)O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6489 |
| logD: | 2.6489 |
| logSw: | -3.0688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.718 |
| InChI Key: | KMFGLKZDTZOMSK-LFYQSXPISA-N |