4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0293 |
| Compound Name: | 4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 435.98 |
| Molecular Formula: | C23 H22 Cl N5 S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(n1)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3485 |
| logD: | 5.3115 |
| logSw: | -6.1914 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.013 |
| InChI Key: | AQKKYJNUARFOTD-UHFFFAOYSA-N |