methyl 2-{2-[3-(4-chlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(4-chlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(4-chlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | K305-0016 |
| Compound Name: | methyl 2-{2-[3-(4-chlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 555.01 |
| Molecular Formula: | C26 H23 Cl N4 O6 S |
| Smiles: | Cc1c2C(N(C(N(CC(Nc3ccccc3C(=O)OC)=O)c2sc1C(N(C)C)=O)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8723 |
| logD: | 2.8639 |
| logSw: | -3.8504 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.733 |
| InChI Key: | OKNOHVMHMSLJNJ-UHFFFAOYSA-N |