ethyl 4-amino-2-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0052 |
| Compound Name: | ethyl 4-amino-2-{[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 386.35 |
| Molecular Formula: | C15 H13 F3 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(c(c1F)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6016 |
| logD: | 2.227 |
| logSw: | -3.0768 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.684 |
| InChI Key: | KSZGLOPWSPDRQA-UHFFFAOYSA-N |