ethyl 4-amino-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0029 |
| Compound Name: | ethyl 4-amino-2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 400.38 |
| Molecular Formula: | C16 H15 F3 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7853 |
| logD: | 2.7853 |
| logSw: | -3.4461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.684 |
| InChI Key: | AZWUEDBYLSBVJW-UHFFFAOYSA-N |