4-(4-chlorophenyl)-6-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0286 |
| Compound Name: | 4-(4-chlorophenyl)-6-(3,4-dimethoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C20 H17 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1OC)Nc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.8626 |
| logD: | 4.8626 |
| logSw: | -5.2171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.9 |
| InChI Key: | MSDXBHYWEALJHX-UHFFFAOYSA-N |