2-{3-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E545-0694 |
| Compound Name: | 2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C27 H23 N3 O5 S |
| Smiles: | COc1ccc(CN2C(c3c(c4ccccc4o3)N(CC(Nc3cccc(c3)SC)=O)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3485 |
| logD: | 5.3485 |
| logSw: | -5.549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.265 |
| InChI Key: | ZSZXBFCQTWVMIJ-UHFFFAOYSA-N |