ethyl 4-[3-(methoxycarbonyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[3-(methoxycarbonyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 4-[3-(methoxycarbonyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0162 |
| Compound Name: | ethyl 4-[3-(methoxycarbonyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 383.85 |
| Molecular Formula: | C16 H17 N3 O4 S |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc(nc1Nc1cccc(c1)C(=O)OC)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9195 |
| logD: | 3.9195 |
| logSw: | -3.9153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.533 |
| InChI Key: | WCJQDULBIGPJKL-UHFFFAOYSA-N |