4-(4-tert-butylphenyl)-6-(2-fluoroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-(2-fluoroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-(2-fluoroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0004 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-(2-fluoroanilino)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C22 H21 F N4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(Nc2ccccc2F)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.6244 |
| logD: | 6.6244 |
| logSw: | -6.1227 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.941 |
| InChI Key: | KBHQSXZUKTZDRW-UHFFFAOYSA-N |