methyl 2-(2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
methyl 2-(2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C200-0892 |
| Compound Name: | methyl 2-(2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate |
| Molecular Weight: | 503.46 |
| Molecular Formula: | C23 H16 F3 N3 O5 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N(C(c2c1ccs2)=O)c1cccc(c1)C(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8973 |
| logD: | 3.8866 |
| logSw: | -4.1102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.299 |
| InChI Key: | ASEWJWNBOFVEKG-UHFFFAOYSA-N |