ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | K305-0356 |
| Compound Name: | ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 552.58 |
| Molecular Formula: | C27 H25 F N4 O6 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(C(c2c(C)c(C(N(C)C)=O)sc12)=O)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8503 |
| logD: | 2.8419 |
| logSw: | -3.3726 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.313 |
| InChI Key: | LPVMICPZMHSXHO-UHFFFAOYSA-N |