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N'-hydroxy-2-(2-methylpropyl)-N-(9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)butanediamide

HCID 4394
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CC(CC(=O)NO)C(=O)NC1Cc2cn(c3ccccc23)CCCCCCNC1=O
InChIKey
GCBPAPVOMPJQHK-UHFFFAOYSA-N
Molecular formula
C25H36N4O4
Average molar mass
456.6 g/mol
Monoisotopic mass
456.27365564

Names & identifiers

Preferred name
N'-hydroxy-2-(2-methylpropyl)-N-(9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)butanediamide
IUPAC
N'-hydroxy-2-(2-methylpropyl)-N-(9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)butanediamide

Names & synonyms

SCHEMBL23752325PD036907

Database identifiers

PubChem CID
4394

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
112 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Formal charge
0
Complexity
671

Related reactions

1 records
New reaction record
HRID 2340435 reaction equation
HRID 2340435As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes