CID 44881535
PubChem CID
44881535
Structure
Molecular Formula
Status
Non-live
Molecular Weight
486.4 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[1-[3-(2-bromophenoxy)propyl]-5-methyl-2-oxoindol-3-ylidene]amino]hexanamide
InChI=1S/C24H28BrN3O3/c1-3-4-5-11-22(29)26-27-23-18-16-17(2)12-13-20(18)28(24(23)30)14-8-15-31-21-10-7-6-9-19(21)25/h6-7,9-10,12-13,16H,3-5,8,11,14-15H2,1-2H3,(H,26,29)/b27-23-
LPQXJUGJQGMDIJ-VYIQYICTSA-N
CCCCCC(=O)N/N=C\1/C2=C(C=CC(=C2)C)N(C1=O)CCCOC3=CC=CC=C3Br
C24H28BrN3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
486.4 g/mol
Property Name
XLogP3-AA
Property Value
6.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
485.13140 g/mol
Property Name
Monoisotopic Mass
Property Value
485.13140 g/mol
Property Name
Topological Polar Surface Area
Property Value
71 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
642
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
Old substance
CONTENTS