ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | K305-0131 |
| Compound Name: | ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 564.62 |
| Molecular Formula: | C28 H28 N4 O7 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(C(c2c(C)c(C(N(C)C)=O)sc12)=O)c1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9851 |
| logD: | 2.9767 |
| logSw: | -3.3927 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.857 |
| InChI Key: | RBXLVFDCSDHZAE-UHFFFAOYSA-N |