CID 9674171
PubChem CID
9674171
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
471.3 g/mol
Dates
- Create:2006-10-24
Chemical Structure Depiction
2-bromo-N-[3-[(2E)-2-(5-methyl-2-oxo-1-propylindol-3-ylidene)hydrazinyl]-3-oxopropyl]benzamide
InChI=1S/C22H23BrN4O3/c1-3-12-27-18-9-8-14(2)13-16(18)20(22(27)30)26-25-19(28)10-11-24-21(29)15-6-4-5-7-17(15)23/h4-9,13H,3,10-12H2,1-2H3,(H,24,29)(H,25,28)/b26-20+
XUVILRWFWHFUDQ-LHLOQNFPSA-N
CCCN1C2=C(C=C(C=C2)C)/C(=N\NC(=O)CCNC(=O)C3=CC=CC=C3Br)/C1=O
C22H23BrN4O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
471.3 g/mol
Property Name
XLogP3-AA
Property Value
4.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
470.09535 g/mol
Property Name
Monoisotopic Mass
Property Value
470.09535 g/mol
Property Name
Topological Polar Surface Area
Property Value
90.9 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
683
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
1
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
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CONTENTS