CID 44881509
PubChem CID
44881509
Structure
Molecular Formula
Status
Non-live
Molecular Weight
492.4 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[1-[3-(2-bromophenoxy)propyl]-5-methyl-2-oxoindol-3-ylidene]amino]benzamide
InChI=1S/C25H22BrN3O3/c1-17-12-13-21-19(16-17)23(27-28-24(30)18-8-3-2-4-9-18)25(31)29(21)14-7-15-32-22-11-6-5-10-20(22)26/h2-6,8-13,16H,7,14-15H2,1H3,(H,28,30)/b27-23-
FTPAESUZRMAYLN-VYIQYICTSA-N
CC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC(=O)C3=CC=CC=C3)CCCOC4=CC=CC=C4Br
C25H22BrN3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
492.4 g/mol
Property Name
XLogP3-AA
Property Value
6
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
7
Property Name
Exact Mass
Property Value
491.08445 g/mol
Property Name
Monoisotopic Mass
Property Value
491.08445 g/mol
Property Name
Topological Polar Surface Area
Property Value
71 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
694
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