N'-((2R,3R)-2-(3-chloro-4-cyano-2-methylphenylamino)-3-hydroxybutanoyl)-4-cyanobenzohydrazide

HCID 67006999
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Basic information

Standard SMILES
Cc1c(N[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H](C)O)ccc(C#N)c1Cl
InChIKey
YMIHSUYXTOZFAE-KZULUSFZSA-N
Molecular formula
C20H18ClN5O3
Average molar mass
411.8 g/mol
Monoisotopic mass
411.1098171

Names & identifiers

Preferred name
N'-((2R,3R)-2-(3-chloro-4-cyano-2-methylphenylamino)-3-hydroxybutanoyl)-4-cyanobenzohydrazide
IUPAC
N'-[(2R,3R)-2-(3-chloro-4-cyano-2-methylanilino)-3-hydroxybutanoyl]-4-cyanobenzohydrazide

Names & synonyms

SCHEMBL1365820YMIHSUYXTOZFAE-KZULUSFZSA-NN'-((2R,3R)-2-(3-chloro-4-cyano-2-methylphenylamino)-3-hydroxybutanoyl)-4-cyanobenzohydrazide

Database identifiers

PubChem CID
67006999

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
138 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
29

Related reactions

8 records
New reaction record

Compound notes

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