2-(4-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(4-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide
2-(4-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C241-2132 |
| Compound Name: | 2-(4-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C31 H29 N3 O3 S |
| Smiles: | Cc1ccc(CNC(Cc2ccc(cc2)N2C(c3c(ccs3)N(Cc3cc(C)ccc3C)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.762 |
| logD: | 5.762 |
| logSw: | -5.3414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.874 |
| InChI Key: | DWOJUEMNOHOBOR-UHFFFAOYSA-N |