CID 44879409
PubChem CID
44879409
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
399.4 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[1-[2-(2-methylphenoxy)ethyl]-2-oxoindol-3-ylidene]amino]benzamide
InChI=1S/C24H21N3O3/c1-17-9-5-8-14-21(17)30-16-15-27-20-13-7-6-12-19(20)22(24(27)29)25-26-23(28)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,26,28)/b25-22-
RMHOBXFVCUMDRI-LVWGJNHUSA-N
CC1=CC=CC=C1OCCN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=CC=C4)/C2=O
C24H21N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
399.4 g/mol
Property Name
XLogP3-AA
Property Value
4.9
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
6
Property Name
Exact Mass
Property Value
399.15829154 g/mol
Property Name
Monoisotopic Mass
Property Value
399.15829154 g/mol
Property Name
Topological Polar Surface Area
Property Value
71 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
644
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