N-{[4-(methylsulfanyl)phenyl]methyl}-2-{3-oxo-9-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-{3-oxo-9-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl}acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-{3-oxo-9-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F833-0977 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-{3-oxo-9-[4-(propan-2-yl)phenyl]pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 486.6 |
| Molecular Formula: | C26 H26 N6 O2 S |
| Smiles: | CC(C)c1ccc(cc1)c1cc2C3=NN(CC(NCc4ccc(cc4)SC)=O)C(N3C=Cn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4134 |
| logD: | 4.4134 |
| logSw: | -4.2677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.791 |
| InChI Key: | PURNOQDJDXULKO-UHFFFAOYSA-N |