2-{[4-({[rel-(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-({[rel-(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-({[rel-(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4785 |
| Compound Name: | 2-{[4-({[rel-(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 564.65 |
| Molecular Formula: | C30 H39 F3 N2 O5 |
| Salt: | not_available |
| Smiles: | CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2156 |
| logD: | 5.2149 |
| logSw: | -5.0744 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.96 |
| InChI Key: | XVDMQQHIUHBARL-IDNYDCHQSA-N |