Basic information
- Standard SMILES
CNC(=O)c1cc(Oc2ccc3nc(NC(=O)c4cccc(C(F)(F)F)c4)nnc3c2)ccn1.O=C(O)C(F)(F)F- InChIKey
VLKPYOBKDWJFFO-UHFFFAOYSA-N- Molecular formula
- C24H16F6N6O5
- Average molar mass
- 582.4 g/mol
Names & identifiers
- Preferred name
- 4-[3-(3-Trifluoromethyl-benzoylamino)-benzo[1,2,4]triazin-7-yloxy]-pyridine-2-carboxylic acid methyl amide trifluoroacetate salt
- IUPAC
- N-methyl-4-[[3-[[3-(trifluoromethyl)benzoyl]amino]-1,2,4-benzotriazin-7-yl]oxy]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
Names & synonyms
4-[3-(3-trifluoromethyl-benzoylamino)-benzo[1,2,4]triazin-7-yloxy]-pyridine-2-carboxylic acid methyl amide trifluoroacetate saltSCHEMBL35286984-[3-(3-trifluromethyl-benzoylamino)-benzo[1,2,4]triazin-7-yloxy]-pyridine-2-carboxylic acid methyl amide trifluoroacetate salt
Database identifiers
- PubChem CID
- 86604284
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 810
Related reactions
3 records
Compound notes
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