Basic information
- Standard SMILES
CCOc1cc(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ncccc3[N+](=O)[O-])c(=O)[nH]2)ccc1OC- InChIKey
IKFJFMBLJHOFIN-UHFFFAOYSA-N- Molecular formula
- C26H24N8O6
- Average molar mass
- 544.5 g/mol
Names & identifiers
- Preferred name
- 5-{(3-Ethoxy-4-methoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl]-2-(3-nitropyridin-2-yl)-2,4-dihydro-[1,2,4]triazol-3-one
- IUPAC
- 5-[(3-ethoxy-4-methoxyphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]methyl]-2-(3-nitro-2-pyridinyl)-4H-1,2,4-triazol-3-one
Names & synonyms
SCHEMBL1620415IKFJFMBLJHOFIN-UHFFFAOYSA-N5-{(3-ethoxy-4-methoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl]-2-(3-nitropyridin-2-yl)-2,4-dihydro-[1,2,4]triazol-3-one
Database identifiers
- PubChem CID
- 136366367
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 912
Related reactions
3 records
Compound notes
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