4-{[(4-chlorophenyl)methyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-{[(4-chlorophenyl)methyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-{[(4-chlorophenyl)methyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0391 |
| Compound Name: | 4-{[(4-chlorophenyl)methyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 380.9 |
| Molecular Formula: | C20 H17 Cl N4 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCc2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.3208 |
| logD: | 5.3208 |
| logSw: | -6.2756 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.961 |
| InChI Key: | ZPVYBYLEGOKSJR-UHFFFAOYSA-N |