4-(4-methylphenyl)-2-(methylsulfanyl)-6-[3-(methylsulfanyl)anilino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-methylphenyl)-2-(methylsulfanyl)-6-[3-(methylsulfanyl)anilino]pyrimidine-5-carbonitrile
4-(4-methylphenyl)-2-(methylsulfanyl)-6-[3-(methylsulfanyl)anilino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0410 |
| Compound Name: | 4-(4-methylphenyl)-2-(methylsulfanyl)-6-[3-(methylsulfanyl)anilino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 378.52 |
| Molecular Formula: | C20 H18 N4 S2 |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(Nc2cccc(c2)SC)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.6173 |
| logD: | 5.6172 |
| logSw: | -5.7013 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | VZZNGTUUVQGOBZ-UHFFFAOYSA-N |