CID 44881712
PubChem CID
44881712
Structure
Molecular Formula
Status
Non-live
Molecular Weight
444.5 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[1-[3-(4-methoxyphenoxy)propyl]-5-methyl-2-oxoindol-3-ylidene]amino]pyridine-4-carboxamide
InChI=1S/C25H24N4O4/c1-17-4-9-22-21(16-17)23(27-28-24(30)18-10-12-26-13-11-18)25(31)29(22)14-3-15-33-20-7-5-19(32-2)6-8-20/h4-13,16H,3,14-15H2,1-2H3,(H,28,30)/b27-23-
YYPKSPRJPYHZHW-VYIQYICTSA-N
CC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC(=O)C3=CC=NC=C3)CCCOC4=CC=C(C=C4)OC
C25H24N4O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
444.5 g/mol
Property Name
XLogP3-AA
Property Value
4.2
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
8
Property Name
Exact Mass
Property Value
444.17975526 g/mol
Property Name
Monoisotopic Mass
Property Value
444.17975526 g/mol
Property Name
Topological Polar Surface Area
Property Value
93.1 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
701
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