rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-5-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-5-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-5-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-4085 |
| Compound Name: | rel-(3aR,5R,7aS)-N-(cyclopropylmethyl)-5-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 515.6 |
| Molecular Formula: | C29 H35 F2 N O5 |
| Smiles: | Cc1ccc(COC2C[C@@](C[C@@H]3[C@H]2OC(C)(C)O3)(C(NCC2CC2)=O)OCc2ccc(cc2F)F)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5357 |
| logD: | 5.5357 |
| logSw: | -5.4077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.339 |
| InChI Key: | HNOIKLIFUTTZOZ-OVPKUEOZSA-N |