ethyl 4-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D278-0456 |
| Compound Name: | ethyl 4-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C16 H19 N3 O4 S |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(c(c1)OC)OC)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1831 |
| logD: | 3.1831 |
| logSw: | -3.3686 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.62 |
| InChI Key: | NHGHQFSEVBRUNN-UHFFFAOYSA-N |