methyl 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
methyl 2-{2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 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: | K305-0124 |
| Compound Name: | methyl 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: | 550.59 |
| Molecular Formula: | C27 H26 N4 O7 S |
| Smiles: | Cc1c2C(N(C(N(CC(Nc3ccccc3C(=O)OC)=O)c2sc1C(N(C)C)=O)=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4415 |
| logD: | 2.4331 |
| logSw: | -3.0945 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.277 |
| InChI Key: | UWOPMDPZGDVOCT-UHFFFAOYSA-N |