ethyl 4-amino-2-({1-oxo-1-[2-(trifluoromethyl)anilino]butan-2-yl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({1-oxo-1-[2-(trifluoromethyl)anilino]butan-2-yl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({1-oxo-1-[2-(trifluoromethyl)anilino]butan-2-yl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0314 |
| Compound Name: | ethyl 4-amino-2-({1-oxo-1-[2-(trifluoromethyl)anilino]butan-2-yl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 428.43 |
| Molecular Formula: | C18 H19 F3 N4 O3 S |
| Smiles: | CCC(C(Nc1ccccc1C(F)(F)F)=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.033 |
| logD: | 4.033 |
| logSw: | -4.3076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.897 |
| InChI Key: | MGXDKIKJIMHWRG-ZDUSSCGKSA-N |