ethyl 4-(4-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-(4-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D278-0318 |
| Compound Name: | ethyl 4-(4-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 323.8 |
| Molecular Formula: | C14 H14 Cl N3 O2 S |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(cc1)[Cl])SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2429 |
| logD: | 4.2429 |
| logSw: | -4.4744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.359 |
| InChI Key: | RPMSTNFSVDYFLH-UHFFFAOYSA-N |