methyl 2-{2-[8-(3-fluorophenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[8-(3-fluorophenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
methyl 2-{2-[8-(3-fluorophenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M446-1769 |
| Compound Name: | methyl 2-{2-[8-(3-fluorophenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 437.39 |
| Molecular Formula: | C21 H16 F N5 O5 |
| Smiles: | COC(c1ccccc1NC(CN1C(N2C=CN=C(C2=N1)Oc1cccc(c1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9388 |
| logD: | 1.9348 |
| logSw: | -2.9556 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.69 |
| InChI Key: | RHACKTMMTCCRPR-UHFFFAOYSA-N |