N'-((2R,3S)-2-(3-Chloro-4-cyano-2-methylphenylamino)-3-hydroxybutanoyl)-4-iodobenzohydrazide
Basic information
- Standard SMILES
Cc1c(N[C@@H](C(=O)NNC(=O)c2ccc(I)cc2)[C@H](C)O)ccc(C#N)c1Cl- InChIKey
KOLSZWFTKAUTCG-APPDUMDISA-N- Molecular formula
- C19H18ClIN4O3
- Average molar mass
- 512.7 g/mol
Names & identifiers
- Preferred name
- N'-((2R,3S)-2-(3-Chloro-4-cyano-2-methylphenylamino)-3-hydroxybutanoyl)-4-iodobenzohydrazide
- IUPAC
- N'-[(2R,3S)-2-(3-chloro-4-cyano-2-methylanilino)-3-hydroxybutanoyl]-4-iodobenzohydrazide
Names & synonyms
SCHEMBL1363737KOLSZWFTKAUTCG-APPDUMDISA-NN'-((2R,3S)-2-(3-Chloro-4-cyano-2-methylphenylamino)-3-hydroxybutanoyl)-4-iodobenzohydrazide
Database identifiers
- PubChem CID
- 67006188
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 605
Related reactions
8 records
Compound notes
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