(S)-4-({[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl}amino)benzamidine acetate
Basic information
- Standard SMILES
CC(=O)O.COc1cc(OCCO)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)c1- InChIKey
GJLZFYFVDPMICW-FYZYNONXSA-N- Molecular formula
- C25H27FN8O6
- Average molar mass
- 554.5 g/mol
- Monoisotopic mass
- 554.20375877
Names & identifiers
- Preferred name
- (S)-4-({[2-fluoro-3-(2-hydroxyethoxy)-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-[[(S)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4H-1,2,4-triazol-3-yl)methyl]amino]benzenecarboximidamide
Names & synonyms
SCHEMBL1620425GJLZFYFVDPMICW-FYZYNONXSA-N(S)-4-({[2-fluoro-3-(2-hydroxyethoxy)-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
- 136366370
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 821
Related reactions
1 records
Compound notes
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