2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E843-0228 |
| Compound Name: | 2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 565.46 |
| Molecular Formula: | C27 H18 F3 N5 O6 |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)N1C(N(Cc2nc(c3ccccc3)no2)C(c2cc3c(cc12)OCO3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6698 |
| logD: | 5.6694 |
| logSw: | -5.9786 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.875 |
| InChI Key: | SWOJWELSLYRXQJ-UHFFFAOYSA-N |