N-(2-bromo-4-methylphenyl)-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-bromo-4-methylphenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2-bromo-4-methylphenyl)-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: | K892-0132 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 579.39 |
| Molecular Formula: | C24 H18 Br F3 N4 O3 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(c1c(C)c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2255 |
| logD: | 5.2148 |
| logSw: | -5.2048 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.784 |
| InChI Key: | MEKQFPJZLNHVCI-UHFFFAOYSA-N |