methyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-ethylphenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-ethylphenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-ethylphenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | K305-0168 |
| Compound Name: | methyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-ethylphenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 548.62 |
| Molecular Formula: | C28 H28 N4 O6 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c(C)c(C(N(C)C)=O)sc2N(CC(Nc2ccccc2C(=O)OC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2082 |
| logD: | 3.1999 |
| logSw: | -3.5029 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.733 |
| InChI Key: | IZMXWZSJDQAJRN-UHFFFAOYSA-N |