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

HCID 136366598

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

Related reactions

3 records

Compound notes

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