7-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2H-[1,3]dioxolo[4,5-g]quinazoline-6,8(5H,7H)-dione
Chemical Structure Depiction of
7-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2H-[1,3]dioxolo[4,5-g]quinazoline-6,8(5H,7H)-dione
7-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2H-[1,3]dioxolo[4,5-g]quinazoline-6,8(5H,7H)-dione
Compound characteristics
| Compound ID: | E843-1064 |
| Compound Name: | 7-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2H-[1,3]dioxolo[4,5-g]quinazoline-6,8(5H,7H)-dione |
| Molecular Weight: | 446.34 |
| Molecular Formula: | C20 H13 F3 N4 O5 |
| Smiles: | C(CN1C(c2cc3c(cc2NC1=O)OCO3)=O)c1nc(c2ccc(cc2)C(F)(F)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.4542 |
| logD: | 4.4343 |
| logSw: | -4.3886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.917 |
| InChI Key: | WRMHXCBHWGQUMV-UHFFFAOYSA-N |