rel-(1R,4S,5S)-1-[(2-cyanophenyl)methoxy]-N-cyclopropyl-3-[(2,4-difluorophenyl)methoxy]-4,5-dihydroxycyclohexane-1-carboxamide
Chemical Structure Depiction of
rel-(1R,4S,5S)-1-[(2-cyanophenyl)methoxy]-N-cyclopropyl-3-[(2,4-difluorophenyl)methoxy]-4,5-dihydroxycyclohexane-1-carboxamide
rel-(1R,4S,5S)-1-[(2-cyanophenyl)methoxy]-N-cyclopropyl-3-[(2,4-difluorophenyl)methoxy]-4,5-dihydroxycyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | V004-9642 |
| Compound Name: | rel-(1R,4S,5S)-1-[(2-cyanophenyl)methoxy]-N-cyclopropyl-3-[(2,4-difluorophenyl)methoxy]-4,5-dihydroxycyclohexane-1-carboxamide |
| Molecular Weight: | 472.49 |
| Molecular Formula: | C25 H26 F2 N2 O5 |
| Smiles: | C1CC1NC([C@]1(CC([C@@H]([C@@H](C1)O)O)OCc1ccc(cc1F)F)OCc1ccccc1C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6023 |
| logD: | 2.6023 |
| logSw: | -3.214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.925 |
| InChI Key: | AUTNLSAXLVQBMB-IQSHEIPESA-N |