4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0084 |
| Compound Name: | 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C26 H29 N5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(nc(n1)SC)N1CCN(CC1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8672 |
| logD: | 6.8672 |
| logSw: | -6.0821 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.733 |
| InChI Key: | CLLSVUBWXFQQSC-UHFFFAOYSA-N |