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Basic information
- Standard SMILES
CC(=O)O.COc1cc(C(Nc2ccc(C(=N)N)cc2)c2nn(-c3ncccc3F)c(=O)[nH]2)cc(OC)n1- InChIKey
RFHSSEJBEQIZLM-UHFFFAOYSA-N- Molecular formula
- C24H25FN8O5
- Average molar mass
- 524.5 g/mol
- Monoisotopic mass
- 524.19319409
Names & identifiers
- Preferred name
- 4-{[(2,6-dimethoxypyridin-4-yl)-[1-(3-fluoropyridin-2-yl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl]amino}benzamidine acetate
- IUPAC
- acetic acid;4-[[(2,6-dimethoxy-4-pyridinyl)-[1-(3-fluoro-2-pyridinyl)-5-oxo-4H-1,2,4-triazol-3-yl]methyl]amino]benzenecarboximidamide
Names & synonyms
SCHEMBL1619012RFHSSEJBEQIZLM-UHFFFAOYSA-N4-{[(2,6-dimethoxypyridin-4-yl)-[1-(3-fluoropyridin-2-yl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl]amino}benzamidine acetate
Database identifiers
- PubChem CID
- 136366168
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 781
Related reactions
1 records
Compound notes
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