Basic information
- CAS
1203956-50-6- Standard SMILES
Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(C#N)cc1C(=O)NNC=O- InChIKey
NJALZFBWNVOBGB-UHFFFAOYSA-N- Molecular formula
- C22H19F3N6O3
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 472.14707298
Names & identifiers
- Preferred name
- 5-Cyano-2-[1-methyl-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]ethoxy]benzoic acid 2-formylhydrazide
- IUPAC
- N-[[5-cyano-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzoyl]amino]formamide
Names & synonyms
DTXSID2011047281203956-50-65-Cyano-2-[1-methyl-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]ethoxy]benzoic acid 2-formylhydrazide
Database identifiers
- CAS
1203956-50-6- PubChem CID
- 165367010
- DTXSID
DTXSID201104728
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 786
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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