4-(4-tert-butylphenyl)-6-(4-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-(4-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-(4-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0243 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-(4-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 408.95 |
| Molecular Formula: | C22 H21 Cl N4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(Nc2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 7.1221 |
| logD: | 7.1221 |
| logSw: | -7.0045 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | BCZHNHUSVXBQGR-UHFFFAOYSA-N |