4-(4-bromoanilino)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-bromoanilino)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-bromoanilino)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0282 |
| Compound Name: | 4-(4-bromoanilino)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 431.74 |
| Molecular Formula: | C18 H12 Br Cl N4 S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(Nc2ccc(cc2)[Br])n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1615 |
| logD: | 6.1615 |
| logSw: | -6.7116 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | BFYGBZGDFJWLDQ-UHFFFAOYSA-N |