Basic information
- Standard SMILES
CCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1- InChIKey
FDQHGPBWDBHZML-UHFFFAOYSA-N- Molecular formula
- C22H21N3O6
- Average molar mass
- 423.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Butylphenyl)-2-furancarboxylic acid 2-(4-hydroxy-3-nitrobenzoyl)hydrazide
- IUPAC
- 3-(4-butylphenyl)-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide
Names & synonyms
CHEMBL3326187SCHEMBL3975792FDQHGPBWDBHZML-UHFFFAOYSA-NBDBM500578173-(4-butylphenyl)-2-furancarboxylic acid 2-(4-hydroxy-3-nitrobenzoyl)hydrazide
Database identifiers
- PubChem CID
- 11633206
- ChEMBL
CHEMBL3326187
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 631
Related reactions
1 records
Compound notes
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