4-(3-chloro-4-methoxyanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3-chloro-4-methoxyanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(3-chloro-4-methoxyanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0376 |
| Compound Name: | 4-(3-chloro-4-methoxyanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(Nc2ccc(c(c2)[Cl])OC)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.6669 |
| logD: | 5.6669 |
| logSw: | -6.3777 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.269 |
| InChI Key: | HAUOHCRRWKQYDS-UHFFFAOYSA-N |