4-(azepan-1-yl)-6-(4-tert-butylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(azepan-1-yl)-6-(4-tert-butylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(azepan-1-yl)-6-(4-tert-butylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0057 |
| Compound Name: | 4-(azepan-1-yl)-6-(4-tert-butylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 380.55 |
| Molecular Formula: | C22 H28 N4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(nc(n1)SC)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.7279 |
| logD: | 6.7279 |
| logSw: | -5.9162 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.803 |
| InChI Key: | BGYIYGRAPLRMOU-UHFFFAOYSA-N |