rel-(3aR,5R,7aS)-7-[(4-cyanophenyl)methoxy]-5-[(2,4-difluorophenyl)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-[(4-cyanophenyl)methoxy]-5-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-7-[(4-cyanophenyl)methoxy]-5-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V018-4026 |
| Compound Name: | rel-(3aR,5R,7aS)-7-[(4-cyanophenyl)methoxy]-5-[(2,4-difluorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 585.65 |
| Molecular Formula: | C31 H37 F2 N3 O6 |
| Salt: | not_available |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCCN1CCOCC1)=O)OCc1ccc(cc1F)F)OCc1ccc(C#N)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5084 |
| logD: | 3.3925 |
| logSw: | -3.5918 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.605 |
| InChI Key: | IPFZORMALDDMDX-XMLACPMZSA-N |