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Anti-inflammatory agent 70 5mg

CAT: 0628-A24094-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A24094-5Size:5 mg
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CAS Number
2767427-87-0

Chemical Information

Anti-inflammatory agent 70
CAS Number2767427-87-0
PubChem CID170915644
IUPAC Name(E)-N-[6-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-N'-[4-[(5-nitrofuran-2-carbonyl)amino]phenyl]but-2-enediamide
Molecular FormulaC35H35N7O10
Molecular Weight713.7
XLogP3.1
Topological Polar Surface Area233
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count52
Formal Charge0
Complexity1420
SMILES
CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCNC(=O)/C=C/C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(O5)[N+](=O)[O-]
InChI
InChI=1S/C35H35N7O10/c1-40-29(45)17-13-25(34(40)48)41-33(47)23-7-6-8-24(31(23)35(41)49)36-19-4-2-3-5-20-37-27(43)15-16-28(44)38-21-9-11-22(12-10-21)39-32(46)26-14-18-30(52-26)42(50)51/h6-12,14-16,18,25,36H,2-5,13,17,19-20H2,1H3,(H,37,43)(H,38,44)(H,39,46)/b16-15+
InChIKey
GLXVESPMAQKDPG-FOCLMDBBSA-N
Chemical Structure
2D Structure
2D structure of Anti-inflammatory agent 70
CAS: 2767427-87-0
CID: 170915644
Formula: C35H35N7O10
MW: 713.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight713.7
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass713.24454034
Monoisotopic Mass713.24454034
Topological Polar Surface Area233 Ų
Heavy Atom Count52
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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