4-(4-chlorophenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0322 |
| Compound Name: | 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C22 H20 Cl N5 S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(n1)N1CCN(CC1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6675 |
| logD: | 5.6675 |
| logSw: | -6.2939 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.733 |
| InChI Key: | YBDCLPDYWCMSEO-UHFFFAOYSA-N |