methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
Compound characteristics
| Compound ID: | Y070-0619 |
| Compound Name: | methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate |
| Molecular Weight: | 440.35 |
| Molecular Formula: | C20 H16 F4 N2 O5 |
| Smiles: | COC(c1ccc(cc1)C1C(C(c2ccc(cc2)F)=O)C(C(F)(F)F)(NC(N1)=O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9708 |
| logD: | 2.9705 |
| logSw: | -3.3664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.796 |
| InChI Key: | WJJKXBNBEFDEDD-UHFFFAOYSA-N |