ethyl 4-amino-2-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0134 |
| Compound Name: | ethyl 4-amino-2-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 434.82 |
| Molecular Formula: | C16 H14 Cl F3 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4946 |
| logD: | 3.4638 |
| logSw: | -3.8812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.684 |
| InChI Key: | LZUIBSIZKSJKTC-UHFFFAOYSA-N |