methyl 2-{2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C200-0626 |
| Compound Name: | methyl 2-{2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c(C)c(C)sc2N(CC(Nc2ccccc2C(=O)OC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.862 |
| logD: | 4.8536 |
| logSw: | -4.5676 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.732 |
| InChI Key: | LCRVUOYJPJANCA-UHFFFAOYSA-N |