Basic information
- Standard SMILES
C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1- InChIKey
YVMAINJAQUPCFE-XXFAHNHDSA-N- Molecular formula
- C18H15Cl3N4O3
- Average molar mass
- 441.7 g/mol
- Monoisotopic mass
- 440.020973
Names & identifiers
- Preferred name
- 4-Chloro-N'-((2R,3S)-2-(2,3-dichloro-4-cyanophenylamino)-3-hydroxybutanoyl)benzohydrazide
- IUPAC
- 4-chloro-N'-[(2R,3S)-2-(2,3-dichloro-4-cyanoanilino)-3-hydroxybutanoyl]benzohydrazide
Names & synonyms
SCHEMBL1363025YVMAINJAQUPCFE-XXFAHNHDSA-N4-Chloro-N'-((2R,3S)-2-(2,3-dichloro-4-cyanophenylamino)-3-hydroxybutanoyl)benzohydrazide
Database identifiers
- PubChem CID
- 57908643
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 606
Related reactions
4 records
Compound notes
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