6-{[3-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-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: | F830-0358 |
| Compound Name: | 6-{[3-(4-ethylphenyl)-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: | 481.44 |
| Molecular Formula: | C23 H18 F3 N7 O2 |
| Smiles: | CCc1ccc(cc1)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2cccc(c2)C(F)(F)F)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.345 |
| logD: | 4.345 |
| logSw: | -4.4466 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | RMIBSZSCRZDACJ-UHFFFAOYSA-N |