2-[8-(3-methoxyphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[8-(3-methoxyphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[8-(3-methoxyphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M446-1199 |
| Compound Name: | 2-[8-(3-methoxyphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | COc1cccc(c1)OC1C2=NN(CC(NCc3ccc(cc3)SC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4499 |
| logD: | 2.4499 |
| logSw: | -2.8325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.08 |
| InChI Key: | APQITCJZENINPF-UHFFFAOYSA-N |