CID 9674515
PubChem CID
9674515
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
396.4 g/mol
Dates
- Create:2006-10-24
Chemical Structure Depiction
N-[(Z)-(1-butyl-5-methoxy-2-oxoindol-3-ylidene)amino]-4-nitrobenzamide
InChI=1S/C20H20N4O5/c1-3-4-11-23-17-10-9-15(29-2)12-16(17)18(20(23)26)21-22-19(25)13-5-7-14(8-6-13)24(27)28/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)/b21-18-
RBEJRSWSQFEHEZ-UZYVYHOESA-N
CCCCN1C2=C(C=C(C=C2)OC)/C(=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C1=O
C20H20N4O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
396.4 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
396.14336975 g/mol
Property Name
Monoisotopic Mass
Property Value
396.14336975 g/mol
Property Name
Topological Polar Surface Area
Property Value
117 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
654
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