rel-(3aR,5R,7aS)-7-(benzyloxy)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-(benzyloxy)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-(benzyloxy)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-6876 |
| Compound Name: | rel-(3aR,5R,7aS)-7-(benzyloxy)-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C30 H39 F N2 O6 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCN1CCOCC1)=O)OCc1ccccc1F)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8145 |
| logD: | 3.6986 |
| logSw: | -3.8703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.549 |
| InChI Key: | RJCAPDKDUUJBHC-ZGNPHWLPSA-N |