4-(4-tert-butylphenyl)-6-(3-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-(3-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-(3-chloroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0249 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-(3-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(Nc2cccc(c2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 7.281 |
| logD: | 7.2809 |
| logSw: | -6.7695 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | ISYZAVMHNNGNDC-UHFFFAOYSA-N |