N'-((2R,3S)-2-(3-Chloro-4-cyanophenylamino)-3-hydroxybutanoyl)-4-(methylsulfonyl)benzohydrazide

HCID 58433608

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIKey: IEFVHZJEESJKPT-APPDUMDISA-N
Molecular formula: C19H19ClN4O5S
Average molar mass: 450.9 g/mol

Names & identifiers

Preferred name: N'-((2R,3S)-2-(3-Chloro-4-cyanophenylamino)-3-hydroxybutanoyl)-4-(methylsulfonyl)benzohydrazide
IUPAC: N'-[(2R,3S)-2-(3-chloro-4-cyanoanilino)-3-hydroxybutanoyl]-4-methylsulfonylbenzohydrazide

Names & synonyms

SCHEMBL1366114IEFVHZJEESJKPT-APPDUMDISA-NN'-((2R,3S)-2-(3-Chloro-4-cyanophenylamino)-3-hydroxybutanoyl)-4-(methylsulfonyl)benzohydrazide

Database identifiers

PubChem CID: 58433608

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 157 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 770

Related reactions

8 records

New reaction record

HRID 470819As productuspto-grants-2014_01

HRID 470820As reactantuspto-grants-2014_01

HRID 563275As productuspto-grants-2011_11

HRID 563276As reactantuspto-grants-2011_11

HRID 1254724As productuspto-grants-2013_06

HRID 1254725As reactantuspto-grants-2013_06

HRID 2388476As productuspto-grants-2012_09

HRID 2388477As reactantuspto-grants-2012_09

Compound notes

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