N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0212 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 561.5 |
| Molecular Formula: | C24 H18 F3 N5 O6 S |
| Smiles: | Cc1c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2sc1C(Nc1cc(ccc1OC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0357 |
| logD: | 2.6524 |
| logSw: | -4.374 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.796 |
| InChI Key: | DXQAGUGHZKAAQT-UHFFFAOYSA-N |