Basic information
- Standard SMILES
CCOc1ccc(-c2ccn3c(=O)n(CC(C)C)nc3c2-c2ccc(OCC)cc2)cc1- InChIKey
PZWWDXAZCFMRCF-UHFFFAOYSA-N- Molecular formula
- C26H29N3O3
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 7,8-bis(4-ethoxyphenyl)-2-isobutyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 7,8-bis(4-ethoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
SCHEMBL4493845PZWWDXAZCFMRCF-UHFFFAOYSA-N7,8-bis(4-ethoxyphenyl)-2-isobutyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Database identifiers
- PubChem CID
- 57799370
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 756
Related reactions
1 records
Compound notes
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