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Crebinostat 5mg

CAT: 0628-A24065-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A24065-5Size:5 mg
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CAS Number
1092061-61-4

Chemical Information

Crebinostat

N'-hydroxy-N-[(4-phenylphenyl)methylideneamino]heptanediamide is a member of biphenyls.

CAS Number1092061-61-4
PubChem CID25118059
IUPAC NameN'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide
Molecular FormulaC20H23N3O3
Molecular Weight353.4
XLogP2.7
Topological Polar Surface Area90.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity453
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/NC(=O)CCCCCC(=O)NO
InChI
InChI=1S/C20H23N3O3/c24-19(9-5-2-6-10-20(25)23-26)22-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,26H,2,5-6,9-10H2,(H,22,24)(H,23,25)/b21-15+
InChIKey
AEIVDBATQVVQFS-RCCKNPSSSA-N
Chemical Structure
2D Structure
2D structure of Crebinostat
CAS: 1092061-61-4
CID: 25118059
Formula: C20H23N3O3
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass353.17394160
Monoisotopic Mass353.17394160
Topological Polar Surface Area90.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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