2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | P032-1923 |
| Compound Name: | 2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | COCC1=CC2=NN(CC(Nc3cccc(c3)SC)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.109 |
| logD: | 3.0881 |
| logSw: | -3.3815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.904 |
| InChI Key: | CODLWZRSJNOUQX-UHFFFAOYSA-N |