Basic information
- Standard SMILES
Cc1c(N[C@@H](C(=O)NNC(=O)c2ccc(-n3cccn3)cc2)[C@H](C)O)ccc(C#N)c1Cl- InChIKey
GWAAPFXUHIJZEV-VBKZILBWSA-N- Molecular formula
- C22H21ClN6O3
- Average molar mass
- 452.9 g/mol
- Monoisotopic mass
- 452.1363662
Names & identifiers
- Preferred name
- N'-((2R,3S)-2-(3-Chloro-4-cyano-2-methylphenylamino)-3-hydroxybutanoyl)-4-(1H-pyrazol-1-yl)benzohydrazide
- IUPAC
- N'-[(2R,3S)-2-(3-chloro-4-cyano-2-methylanilino)-3-hydroxybutanoyl]-4-pyrazol-1-ylbenzohydrazide
Names & synonyms
SCHEMBL1362766GWAAPFXUHIJZEV-VBKZILBWSA-NN'-((2R,3S)-2-(3-Chloro-4-cyano-2-methylphenylamino)-3-hydroxybutanoyl)-4-(1H-pyrazol-1-yl)benzohydrazide
Database identifiers
- PubChem CID
- 67005755
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 707
Related reactions
8 records
Compound notes
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