4-cyano-N'-((2R,3S)-2-(7-cyanobenzo[b]thiophen-4-ylamino)-3-hydroxybutanoyl)benzohydrazide

HCID 67006252
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Basic information

Standard SMILES
C[C@H](O)[C@@H](Nc1ccc(C#N)c2sccc12)C(=O)NNC(=O)c1ccc(C#N)cc1
InChIKey
KKCAEQYJCUCELE-KPZWWZAWSA-N
Molecular formula
C21H17N5O3S
Average molar mass
419.5 g/mol

Names & identifiers

Preferred name
4-cyano-N'-((2R,3S)-2-(7-cyanobenzo[b]thiophen-4-ylamino)-3-hydroxybutanoyl)benzohydrazide
IUPAC
4-cyano-N'-[(2R,3S)-2-[(7-cyano-1-benzothiophen-4-yl)amino]-3-hydroxybutanoyl]benzohydrazide

Names & synonyms

SCHEMBL1363886KKCAEQYJCUCELE-KPZWWZAWSA-N4-cyano-N'-((2R,3S)-2-(7-cyanobenzo[b]thiophen-4-ylamino)-3-hydroxybutanoyl)benzohydrazide

Database identifiers

PubChem CID
67006252

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
166 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
30

Related reactions

8 records
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Compound notes

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