Basic information
- CAS
719272-75-0- Standard SMILES
Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(c3nc(-c4ccc(F)cc4)no3)(CC1)CC2- InChIKey
FRKIPPLTMSQJLF-UHFFFAOYSA-N- Molecular formula
- C26H23F4N5O
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 497.18387324
Names & identifiers
- Preferred name
- 3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo(2.2.2)octan-1-yl)-1,2,4-oxadiazole
- IUPAC
- 3-(4-fluorophenyl)-5-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]-1,2,4-oxadiazole
- English name
- 3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole
- Molecular formula
- C26H23F4N5O
- Molecular weight
- 497.49
Names & synonyms
719272-75-03-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazoleDTXSID804680433-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo(2.2.2)octan-1-yl)-1,2,4-oxadiazole3-(4-Fluorophenyl)-5-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazoleRefChem:1066852DTXCID40418862CHEMBL3732573-(4-Fluorophenyl)-5-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]-1,2,4-oxadiazoleSCHEMBL4317573BDBM50174298PD159913
Show more names
3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.21,2,4-Oxadiazole, 3-(4-fluorophenyl)-5-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]oct-1-yl]-
DB-0744983-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicyclo[2.2.2]octan-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole3-(4-fluorophenyl)-5-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4h-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole3-(4-fluorophenyl)-5-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]4h-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole
Database identifiers
- CAS
719272-75-0- PubChem CID
- 11526147
- DTXSID
DTXSID80468043- ChEMBL
CHEMBL373257
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 766
Physicochemical properties
- Boiling point
- 625.9 · 625.9±65.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 2.59 · 2.59±0.10(Predicted)
Chemistry & industry
Suppliers3 total
赛纳斯特化学（欢迎点击联系）021-60343070
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
2 records
Compound notes
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