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Basic information
- Standard SMILES
CC(=O)O.COc1cc(OCCF)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)c1- InChIKey
KCJRSRIEBNMAPH-UHFFFAOYSA-N- Molecular formula
- C25H26F2N8O5
- Average molar mass
- 556.5 g/mol
- Monoisotopic mass
- 556.19942228
Names & identifiers
- Preferred name
- 4-({[2-fluoro-3-(2-fluoroethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl}amino)benzamidine acetate
- IUPAC
- acetic acid;4-[[[2-fluoro-3-(2-fluoroethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4H-1,2,4-triazol-3-yl)methyl]amino]benzenecarboximidamide
Names & synonyms
SCHEMBL1620111KCJRSRIEBNMAPH-UHFFFAOYSA-N4-({[2-fluoro-3-(2-fluoro ethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl}amino)benzamidine Acetate4-({[2-fluoro-3-(2-fluoroethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl}amino)benzamidine acetate
Database identifiers
- PubChem CID
- 136366262
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 822
Related reactions
5 records
Compound notes
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