methyl 4-{2-[7-(4-fluorophenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[7-(4-fluorophenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[7-(4-fluorophenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L386-0482 |
| Compound Name: | methyl 4-{2-[7-(4-fluorophenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 477.47 |
| Molecular Formula: | C23 H16 F N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C=Nc3c(csc3C2=N1)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9981 |
| logD: | 3.998 |
| logSw: | -4.4096 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.505 |
| InChI Key: | UOTAJDGOEMGYLT-UHFFFAOYSA-N |