4-(4-tert-butylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0100 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C22 H29 N5 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(nc(n1)SC)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 4.5917 |
| logD: | 4.5334 |
| logSw: | -4.355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.918 |
| InChI Key: | RRBKSLIDYSKAFR-UHFFFAOYSA-N |