Basic information
- CAS
338426-39-4- Standard SMILES
CCOc1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1- InChIKey
GACBVWMTKFVVSB-UHFFFAOYSA-N- Molecular formula
- C22H19N3O
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.15281224
Names & identifiers
- Preferred name
- 3-(4-Ethoxy-phenyl)-4,5-diphenyl-4H-[1,2,4]triazole
- IUPAC
- 3-(4-ethoxyphenyl)-4,5-diphenyl-1,2,4-triazole
Names & synonyms
3-(4-Ethoxy-phenyl)-4,5-diphenyl-4H-[1,2,4]triazoleOprea1_097961Oprea1_109621MLS000563913CHEMBL1424137DTXSID401233135HMS2407E09AKOS000560028338426-39-4SMR000177303ST50259562AG-690/40751459
Show more names
3-(4-Ethoxyphenyl)-4,5-diphenyl-4H-1,2,4-triazole1-(4,5-diphenyl(1,2,4-triazol-3-yl))-4-ethoxybenzene4-(4,5-diphenyl-4H-1,2,4-triazol-3-yl)phenyl ethyl ether
Database identifiers
- CAS
338426-39-4- PubChem CID
- 798145
- DTXSID
DTXSID401233135- ChEMBL
CHEMBL1424137
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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