4-(4-chlorophenyl)-6-{[(4-chlorophenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-{[(4-chlorophenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-{[(4-chlorophenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0313 |
| Compound Name: | 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 401.32 |
| Molecular Formula: | C19 H14 Cl2 N4 S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(NCc2ccc(cc2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4921 |
| logD: | 5.4921 |
| logSw: | -6.4113 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.961 |
| InChI Key: | XKIWLNUIUQEFCM-UHFFFAOYSA-N |