3-benzyl-6-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-benzyl-6-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-benzyl-6-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0753 |
| Compound Name: | 3-benzyl-6-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 469.38 |
| Molecular Formula: | C21 H14 F3 N7 O3 |
| Smiles: | C(c1nc(c2ccc(cc2)OC(F)(F)F)no1)N1C=Nc2c(C1=O)nnn2Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8488 |
| logD: | 3.8488 |
| logSw: | -4.2235 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 90.302 |
| InChI Key: | HIRCGZVHNMTWCA-UHFFFAOYSA-N |