2-amino-4-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-amino-4-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
2-amino-4-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 8001-8125 |
| Compound Name: | 2-amino-4-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C14 H11 F N4 O S2 |
| Smiles: | CSc1c(C#N)c(nc(N)n1)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7827 |
| logD: | 2.7827 |
| logSw: | -3.2223 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.57 |
| InChI Key: | NKIDVLODGAKIJW-UHFFFAOYSA-N |