2-[3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E545-0481 |
| Compound Name: | 2-[3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C27 H23 N3 O4 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(c2c(c3ccccc3o2)N(CC(Nc2cccc(c2)SC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.699 |
| logD: | 5.699 |
| logSw: | -5.6166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.109 |
| InChI Key: | BXAPKAYEHYCPPP-UHFFFAOYSA-N |