methyl 3-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
methyl 3-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | C201-1868 |
| Compound Name: | methyl 3-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-9-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C18 H14 F N5 O3 S2 |
| Smiles: | Cc1c2c3nnc(n3cnc2sc1C(=O)OC)SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7363 |
| logD: | 2.7357 |
| logSw: | -3.2641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.795 |
| InChI Key: | WRRXBJQJHURSES-UHFFFAOYSA-N |