4-(4-chlorophenyl)-6-(3,4-dimethylanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-(3,4-dimethylanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-(3,4-dimethylanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0298 |
| Compound Name: | 4-(4-chlorophenyl)-6-(3,4-dimethylanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 380.9 |
| Molecular Formula: | C20 H17 Cl N4 S |
| Smiles: | Cc1ccc(cc1C)Nc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.3151 |
| logD: | 6.3151 |
| logSw: | -6.6528 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | LDIAEYFBZZNVKE-UHFFFAOYSA-N |