Basic information
- Standard SMILES
CC(=NNC(=O)c1ccc(C(=O)NCc2ccncc2)s1)c1nn(C)c(-c2ccc(Cl)c(Cl)c2)c1O- InChIKey
VECJVWJOHDFHIY-UHFFFAOYSA-N- Molecular formula
- C24H20Cl2N6O3S
- Average molar mass
- 543.4 g/mol
- Monoisotopic mass
- 542.0694651
Names & identifiers
- Preferred name
- 5-{1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidenehydrazinocarbonyl}thiophene-2-carboxylic Acid 4-picolylamide
- IUPAC
- 2-N-[1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methylpyrazol-3-yl]ethylideneamino]-5-N-(pyridin-4-ylmethyl)thiophene-2,5-dicarboxamide
Names & synonyms
SCHEMBL1999929VECJVWJOHDFHIY-UHFFFAOYSA-N5-{1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidenehydrazinocarbonyl}thiophene-2-carboxylic Acid 4-picolylamide
Database identifiers
- PubChem CID
- 76597849
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 817
Related reactions
2 records
Compound notes
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