4-(4-tert-butylphenyl)-6-{[(4-chlorophenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-{[(4-chlorophenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-{[(4-chlorophenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0075 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-{[(4-chlorophenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 422.98 |
| Molecular Formula: | C23 H23 Cl N4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(NCc2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.6919 |
| logD: | 6.6919 |
| logSw: | -6.8334 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.961 |
| InChI Key: | WBQPLVLLFSHODS-UHFFFAOYSA-N |