rel-(3aR,5R,7aS)-7-[(2-fluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-N-(morpholin-4-yl)hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-7-[(2-fluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-N-(morpholin-4-yl)hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(2-fluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-N-(morpholin-4-yl)hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V004-5214 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(2-fluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-N-(morpholin-4-yl)hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 528.62 |
| Molecular Formula: | C29 H37 F N2 O6 |
| Smiles: | Cc1cccc(CO[C@@]2(CC([C@H]3[C@@H](C2)OC(C)(C)O3)OCc2ccccc2F)C(NN2CCOCC2)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5931 |
| logD: | 4.5931 |
| logSw: | -4.4911 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.365 |
| InChI Key: | ALRBBIYYDXLVRZ-CIIYXKIESA-N |