4-(3-chloroanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3-chloroanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(3-chloroanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D287-0071 |
| Compound Name: | 4-(3-chloroanilino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 366.87 |
| Molecular Formula: | C19 H15 Cl N4 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(Nc2cccc(c2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.9099 |
| logD: | 5.9099 |
| logSw: | -6.3774 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | OCQIHCQWTNQBRD-UHFFFAOYSA-N |