4-(4-tert-butylphenyl)-6-(5-chloro-2-methoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-(5-chloro-2-methoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-(5-chloro-2-methoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0112 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-(5-chloro-2-methoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 438.98 |
| Molecular Formula: | C23 H23 Cl N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(Nc2cc(ccc2OC)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 7.0971 |
| logD: | 7.0971 |
| logSw: | -6.8133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.572 |
| InChI Key: | KSHBPWJXTPAVIP-UHFFFAOYSA-N |