3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}[1]benzofuro[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}[1]benzofuro[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}[1]benzofuro[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | E545-0658 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}[1]benzofuro[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 494.43 |
| Molecular Formula: | C26 H17 F3 N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(c2c(c3ccccc3o2)N(Cc2cccc(c2)C(F)(F)F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1273 |
| logD: | 6.1273 |
| logSw: | -6.4259 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.687 |
| InChI Key: | WPDASKMTHUCBKJ-UHFFFAOYSA-N |