4-(3-chloroanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3-chloroanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-(3-chloroanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D624-0004 |
| Compound Name: | 4-(3-chloroanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 352.84 |
| Molecular Formula: | C18 H13 Cl N4 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(Nc2cccc(c2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3814 |
| logD: | 5.3814 |
| logSw: | -6.1569 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | NPBUINUAOXNBCI-UHFFFAOYSA-N |