methyl 2-(2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}acetamido)benzoate
methyl 2-(2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C242-1101 |
| Compound Name: | methyl 2-(2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}acetamido)benzoate |
| Molecular Weight: | 531.51 |
| Molecular Formula: | C25 H20 F3 N3 O5 S |
| Smiles: | Cc1c2C(N(C(N(CC(Nc3ccccc3C(=O)OC)=O)c2sc1C)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5861 |
| logD: | 4.5777 |
| logSw: | -4.5098 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.732 |
| InChI Key: | IBCWLWKJWZLLPW-UHFFFAOYSA-N |