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-[2-chloro-5-(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-[2-chloro-5-(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-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E545-0634 |
| 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-[2-chloro-5-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 571.9 |
| Molecular Formula: | C27 H17 Cl F3 N3 O6 |
| Smiles: | C(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)N1C(N(Cc2ccc3c(c2)OCO3)C(c2c1c1ccccc1o2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0013 |
| logD: | 5.9719 |
| logSw: | -6.3587 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.139 |
| InChI Key: | CXJDZHVDLUZBGQ-UHFFFAOYSA-N |