4-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0037 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 395.57 |
| Molecular Formula: | C22 H29 N5 S |
| Smiles: | CCN1CCN(CC1)c1c(C#N)c(c2ccc(cc2)C(C)(C)C)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.3948 |
| logD: | 5.0459 |
| logSw: | -5.6112 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.009 |
| InChI Key: | JMQKFGHXTUOQHV-UHFFFAOYSA-N |