2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E545-0640 |
| Compound Name: | 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 537.45 |
| Molecular Formula: | C27 H18 F3 N3 O6 |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)N1C(N(Cc2ccc3c(c2)OCO3)C(c2c1c1ccccc1o2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8196 |
| logD: | 5.8192 |
| logSw: | -6.3038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.836 |
| InChI Key: | QDOIQUTXZJZQNI-UHFFFAOYSA-N |