methyl 4-{2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M446-2083 |
| Compound Name: | methyl 4-{2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | Cc1cc(C)cc(c1)OC1C2=NN(CC(Nc3ccc(cc3)C(=O)OC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0647 |
| logD: | 3.0647 |
| logSw: | -3.3766 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.388 |
| InChI Key: | FVLNQHNZADLYFK-UHFFFAOYSA-N |