ethyl 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
ethyl 2-{2-[7-(4-methylphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
ethyl 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: | L386-0255 |
| Compound Name: | ethyl 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: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N2C=Nc3c(csc3C2=N1)c1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5699 |
| logD: | 4.5658 |
| logSw: | -4.4176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.387 |
| InChI Key: | HNEIYWYOQULSQM-UHFFFAOYSA-N |