2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | P032-3089 |
| Compound Name: | 2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C20 H18 N6 O2 S |
| Smiles: | CC1=NC(=CC2=NN(CC(Nc3cccc(c3)SC)=O)C(N12)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4688 |
| logD: | 2.4605 |
| logSw: | -2.834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.187 |
| InChI Key: | RSPXRDDISRCIJV-UHFFFAOYSA-N |