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Basic information
- Standard SMILES
C=Cc1c(N[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H](C)O)ccc(C#N)c1Cl- InChIKey
MWCNUKPYUIRPOI-HXPMCKFVSA-N- Molecular formula
- C21H18ClN5O3
- Average molar mass
- 423.9 g/mol
Names & identifiers
- Preferred name
- n'-((2r,3s)-2-(3-Chloro-4-cyano-2-vinylphenylamino)-3-hydroxybutanoyl)-4-cyanobenzohydrazide
- IUPAC
- N'-[(2R,3S)-2-(3-chloro-4-cyano-2-ethenylanilino)-3-hydroxybutanoyl]-4-cyanobenzohydrazide
Names & synonyms
SCHEMBL1363286MWCNUKPYUIRPOI-HXPMCKFVSA-Nn'-((2r,3s)-2-(3-chloro-4-cyano-2-vinylphenylamino)-3-hydroxybutanoyl)-4-cyanobenzohydrazide
Database identifiers
- PubChem CID
- 67005993
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 733
Related reactions
4 records
Compound notes
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