2,2,2-trifluoroethyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobut-2-enoate
Chemical Structure Depiction of
2,2,2-trifluoroethyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobut-2-enoate
2,2,2-trifluoroethyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobut-2-enoate
Compound characteristics
| Compound ID: | Y500-0959 |
| Compound Name: | 2,2,2-trifluoroethyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobut-2-enoate |
| Molecular Weight: | 335.24 |
| Molecular Formula: | C12 H12 F3 N3 O5 |
| Smiles: | COc1cc(NC(/C=C/C(=O)OCC(F)(F)F)=O)nc(n1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6069 |
| logD: | 1.0075 |
| logSw: | -2.8973 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.849 |
| InChI Key: | UUNAKKSKLFFHSE-UHFFFAOYSA-N |