methyl 2-{2-[7-(4-methylphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[7-(4-methylphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
methyl 2-{2-[7-(4-methylphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L386-0256 |
| Compound Name: | methyl 2-{2-[7-(4-methylphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 473.51 |
| Molecular Formula: | C24 H19 N5 O4 S |
| Smiles: | Cc1ccc(cc1)c1csc2C3=NN(CC(Nc4ccccc4C(=O)OC)=O)C(N3C=Nc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0262 |
| logD: | 4.0222 |
| logSw: | -4.2601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.808 |
| InChI Key: | VNUSBOSLIWENBO-UHFFFAOYSA-N |