4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0452 |
| Compound Name: | 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C22 H20 F N5 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(n1)N1CCN(CC1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.1183 |
| logD: | 5.1183 |
| logSw: | -5.2242 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.733 |
| InChI Key: | OUJRUTLHUPPAQE-UHFFFAOYSA-N |