ethyl 4-(3-methoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-(3-methoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 4-(3-methoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0402 |
| Compound Name: | ethyl 4-(3-methoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 355.84 |
| Molecular Formula: | C15 H17 N3 O3 S |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc(nc1Nc1cccc(c1)OC)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7146 |
| logD: | 3.7146 |
| logSw: | -3.8813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.903 |
| InChI Key: | SYTJXUICBOSSMC-UHFFFAOYSA-N |