4-(4-methylphenyl)-2-(methylsulfanyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-methylphenyl)-2-(methylsulfanyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile
4-(4-methylphenyl)-2-(methylsulfanyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0373 |
| Compound Name: | 4-(4-methylphenyl)-2-(methylsulfanyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 400.42 |
| Molecular Formula: | C20 H15 F3 N4 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(Nc2cccc(c2)C(F)(F)F)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.1996 |
| logD: | 6.1995 |
| logSw: | -5.9631 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | KJXZCZSWUJZDJL-UHFFFAOYSA-N |