ethyl 4-[(3-chloro-4-fluorophenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[(3-chloro-4-fluorophenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-[(3-chloro-4-fluorophenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E729-0023 |
| Compound Name: | ethyl 4-[(3-chloro-4-fluorophenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 384.81 |
| Molecular Formula: | C15 H14 Cl F N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1NC(Nc1ccc(c(c1)[Cl])F)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.275 |
| logD: | 2.0238 |
| logSw: | -4.5368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.75 |
| InChI Key: | VWYKUOGUPSZGFZ-UHFFFAOYSA-N |