methyl 2-[(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate
methyl 2-[(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | K892-0184 |
| Compound Name: | methyl 2-[(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate |
| Molecular Weight: | 544.51 |
| Molecular Formula: | C25 H19 F3 N4 O5 S |
| Smiles: | Cc1c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2sc1C(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1687 |
| logD: | 2.938 |
| logSw: | -4.4448 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.958 |
| InChI Key: | WDQSPLUVUWDXMU-UHFFFAOYSA-N |