ethyl 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
ethyl 2-(2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}acetamido)benzoate
ethyl 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: | C242-1104 |
| Compound Name: | ethyl 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: | 545.54 |
| Molecular Formula: | C26 H22 F3 N3 O5 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(C(c2c(C)c(C)sc12)=O)c1cccc(c1)C(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1298 |
| logD: | 5.1214 |
| logSw: | -5.0168 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.312 |
| InChI Key: | RZINAVOLWUICRA-UHFFFAOYSA-N |