2-{1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C241-1693 |
| Compound Name: | 2-{1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C26 H26 N4 O6 S |
| Smiles: | Cc1ccc(CNC(CN2C(c3c(ccs3)N(CC(Nc3cc(cc(c3)OC)OC)=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5646 |
| logD: | 3.5645 |
| logSw: | -3.8693 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.994 |
| InChI Key: | MRRUMSKMNGVBRM-UHFFFAOYSA-N |