Basic information
- Standard SMILES
CC(=O)O.CCOc1cc(C(Nc2ccc(C(=N)N)cc2)c2nn(-c3ncccc3OC)c(=O)[nH]2)ccc1OCC(=O)NC- InChIKey
AVCBZDNFZATAGC-UHFFFAOYSA-N- Molecular formula
- C29H34N8O7
- Average molar mass
- 606.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-{(4-carbamimidoyl-phenylamino)-[1-(3-methoxy-pyridin-2-yl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]methyl}-2-ethoxy-phenoxy)-N-methyl-acetamide acetate
- IUPAC
- acetic acid;2-[4-[(4-carbamimidoylanilino)-[1-(3-methoxy-2-pyridinyl)-5-oxo-4H-1,2,4-triazol-3-yl]methyl]-2-ethoxyphenoxy]-N-methylacetamide
Names & synonyms
SCHEMBL1621025AVCBZDNFZATAGC-UHFFFAOYSA-N2-(4-{(4-carbamimidoyl-phenylamino)-[1-(3-methoxy-pyridin-2-yl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]methyl}-2-ethoxy-phenoxy) -N-methyl-acetamide acetate2-(4-{(4-carbamimidoyl-phenylamino)-[1-(3-methoxy-pyridin-2-yl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]methyl}-2-ethoxy-phenoxy)-N-methyl-acetamide acetate
Database identifiers
- PubChem CID
- 136366598
Properties
Computed structural properties
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 942
Related reactions
3 records
Compound notes
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