2-{7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E843-0017 |
| Compound Name: | 2-{7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 503.39 |
| Molecular Formula: | C22 H16 F3 N5 O6 |
| Smiles: | Cc1nc(CN2C(c3cc4c(cc3N(CC(Nc3ccccc3C(F)(F)F)=O)C2=O)OCO4)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.1414 |
| logD: | 3.1414 |
| logSw: | -3.5111 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.061 |
| InChI Key: | TZMSONUCRTUWNR-UHFFFAOYSA-N |