2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8001-8142 |
| Compound Name: | 2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C14 H12 N6 O3 S2 |
| Smiles: | CSc1c(C#N)c(nc(N)n1)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5521 |
| logD: | 2.5504 |
| logSw: | -2.8817 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.854 |
| InChI Key: | CPBLTWLJCIJRFE-UHFFFAOYSA-N |