5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-N-[(pyridin-3-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-N-[(pyridin-3-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-N-[(pyridin-3-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0201 |
| Compound Name: | 5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-N-[(pyridin-3-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 501.49 |
| Molecular Formula: | C23 H18 F3 N5 O3 S |
| Smiles: | Cc1c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2sc1C(NCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8154 |
| logD: | 2.8149 |
| logSw: | -3.0706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.322 |
| InChI Key: | NNMWWALMGNAAFP-UHFFFAOYSA-N |