4-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0318 |
| Compound Name: | 4-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C22 H19 Cl F N5 S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(n1)N1CCN(CC1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.8181 |
| logD: | 5.8181 |
| logSw: | -6.4811 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.733 |
| InChI Key: | DODKMGWTJQIQSW-UHFFFAOYSA-N |