benzyl [3-(4-chlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [3-(4-chlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
benzyl [3-(4-chlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | K305-0065 |
| Compound Name: | benzyl [3-(4-chlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate |
| Molecular Weight: | 511.98 |
| Molecular Formula: | C25 H22 Cl N3 O5 S |
| Smiles: | Cc1c2C(N(C(N(CC(=O)OCc3ccccc3)c2sc1C(N(C)C)=O)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.443 |
| logD: | 3.443 |
| logSw: | -4.3811 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.642 |
| InChI Key: | BPAPJLDBCRVYPQ-UHFFFAOYSA-N |