6-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0347 |
| Compound Name: | 6-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 471.37 |
| Molecular Formula: | C21 H13 F4 N7 O2 |
| Smiles: | C(c1nc(c2ccc(cc2)F)no1)N1C=Nc2c(C1=O)nnn2Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.4434 |
| logD: | 3.4434 |
| logSw: | -3.77 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | AOQCKONAZFMWHT-UHFFFAOYSA-N |