4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0468 |
| Compound Name: | 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C18 H21 N5 O S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(n1)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 2.6922 |
| logD: | 2.6339 |
| logSw: | -2.5695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.918 |
| InChI Key: | AKUCHEFVXMSNDB-UHFFFAOYSA-N |