3-[(3-chlorophenyl)methyl]-6-({3-[3-(trifluoromethyl)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-[(3-chlorophenyl)methyl]-6-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(3-chlorophenyl)methyl]-6-({3-[3-(trifluoromethyl)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: | F830-0133 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-6-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 487.83 |
| Molecular Formula: | C21 H13 Cl F3 N7 O2 |
| Smiles: | C(c1nc(c2cccc(c2)C(F)(F)F)no1)N1C=Nc2c(C1=O)nnn2Cc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1147 |
| logD: | 4.1147 |
| logSw: | -4.4929 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | IRWRSJQMBVSXCA-UHFFFAOYSA-N |