4-(4-tert-butylphenyl)-6-[4-(3-methylphenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-[4-(3-methylphenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-[4-(3-methylphenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0114 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-[4-(3-methylphenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 457.64 |
| Molecular Formula: | C27 H31 N5 S |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)c1c(C#N)c(c2ccc(cc2)C(C)(C)C)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 7.3098 |
| logD: | 7.3098 |
| logSw: | -5.9374 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.733 |
| InChI Key: | HFWMOXGCSZFXIC-UHFFFAOYSA-N |