rel-(3aR,5R,7R,7aS)-5-(benzyloxy)-N-[(furan-2-yl)methyl]-7-hydroxy-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7R,7aS)-5-(benzyloxy)-N-[(furan-2-yl)methyl]-7-hydroxy-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7R,7aS)-5-(benzyloxy)-N-[(furan-2-yl)methyl]-7-hydroxy-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V001-3201 |
| Compound Name: | rel-(3aR,5R,7R,7aS)-5-(benzyloxy)-N-[(furan-2-yl)methyl]-7-hydroxy-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C22 H27 N O6 |
| Smiles: | CC1(C)O[C@H]2[C@@H](C[C@@](C[C@H]2O1)(C(NCc1ccco1)=O)OCc1ccccc1)O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2144 |
| logD: | 3.2143 |
| logSw: | -3.077 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.496 |
| InChI Key: | RGHXXWHJTHHPMN-NXWNEQKCSA-N |