N-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-[(4-fluorophenyl)methyl]-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: | K892-0187 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 518.49 |
| Molecular Formula: | C24 H18 F4 N4 O3 S |
| Smiles: | Cc1c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2sc1C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0721 |
| logD: | 4.0714 |
| logSw: | -4.2265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.804 |
| InChI Key: | VTVLILCPPKIKEI-UHFFFAOYSA-N |