rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-N-cyclopropyl-5-[(3-fluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-N-cyclopropyl-5-[(3-fluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-N-cyclopropyl-5-[(3-fluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-8197 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(3-chlorophenyl)methoxy]-N-cyclopropyl-5-[(3-fluorophenyl)methoxy]-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 504 |
| Molecular Formula: | C27 H31 Cl F N O5 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NC1CC1)=O)OCc1cccc(c1)F)OCc1cccc(c1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5166 |
| logD: | 5.5166 |
| logSw: | -5.8284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.873 |
| InChI Key: | YQYBGJPBLUSVER-SGLZHPSQSA-N |