methyl 2-{2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
methyl 2-{2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M460-2212 |
| Compound Name: | methyl 2-{2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C19 H20 N6 O4 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N2C=CN=C(C2=N1)N1CCSCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8037 |
| logD: | 0.7996 |
| logSw: | -2.4004 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.685 |
| InChI Key: | WXBAXLKEFDVWSL-UHFFFAOYSA-N |