ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-[3-(trifluoromethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-[3-(trifluoromethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-[3-(trifluoromethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K824-0018 |
| Compound Name: | ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-[3-(trifluoromethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 453.44 |
| Molecular Formula: | C20 H18 F3 N3 O4 S |
| Smiles: | CCOC(c1c(C)c2c(Nc3cccc(c3)C(F)(F)F)nc(CC(=O)OC)nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2244 |
| logD: | 5.2218 |
| logSw: | -5.3419 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.79 |
| InChI Key: | KXQQBACPDWNWIR-UHFFFAOYSA-N |