ethyl 4-amino-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0025 |
| Compound Name: | ethyl 4-amino-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 400.38 |
| Molecular Formula: | C16 H15 F3 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3129 |
| logD: | 3.3125 |
| logSw: | -3.665 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.382 |
| InChI Key: | FICLESMUJKJVMA-UHFFFAOYSA-N |