4-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0079 |
| Compound Name: | 4-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C27 H31 N5 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(nc(n1)SC)N1CCN(CC1)c1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.868 |
| logD: | 6.8679 |
| logSw: | -5.9694 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.062 |
| InChI Key: | CQLGWVUXDQBGCY-UHFFFAOYSA-N |