2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-benzylacetamide
Chemical Structure Depiction of
2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-benzylacetamide
2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-benzylacetamide
Compound characteristics
| Compound ID: | 8001-8132 |
| Compound Name: | 2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-benzylacetamide |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C15 H15 N5 O S2 |
| Smiles: | CSc1c(C#N)c(nc(N)n1)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3078 |
| logD: | 2.3078 |
| logSw: | -2.6172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.795 |
| InChI Key: | FTJQECCPGQXVBG-UHFFFAOYSA-N |