4-[3-(3-Trifluoromethyl-benzoylamino)-benzo[1,2,4]triazin-7-yloxy]-pyridine-2-carboxylic acid methyl amide trifluoroacetate salt

HCID 86604284

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

Related reactions

3 records

Compound notes

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