Basic information
- Standard SMILES
CC(=O)O.CCOc1cc(C(Nc2ccc(C(=N)N)cc2)c2nn(-c3ncccc3C)c(=O)[nH]2)ccc1OCC(=O)NC- InChIKey
AUBMSYHAUBIERK-UHFFFAOYSA-N- Molecular formula
- C29H34N8O6
- Average molar mass
- 590.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-{(4-carbamimidoylphenylamino)-[1-(3-methylpyridin-2-yl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]methyl}-2-ethoxyphenoxy)-N-methylacetamide acetate
- IUPAC
- acetic acid;2-[4-[(4-carbamimidoylanilino)-[1-(3-methyl-2-pyridinyl)-5-oxo-4H-1,2,4-triazol-3-yl]methyl]-2-ethoxyphenoxy]-N-methylacetamide
Names & synonyms
SCHEMBL1620742AUBMSYHAUBIERK-UHFFFAOYSA-N2-(4-{(4-carbamimidoylphenylamino)-[1-(3-methylpyridin-2-yl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]methyl}-2-ethoxyphenoxy)-N-methylacetamide acetate
Database identifiers
- PubChem CID
- 136366504
Properties
Computed structural properties
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 924
Related reactions
1 records
Compound notes
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