CID 44881789
PubChem CID
44881789
Structure
Molecular Formula
Status
Non-live
Molecular Weight
461.9 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[5-chloro-1-[3-(2-methylphenoxy)propyl]-2-oxoindol-3-ylidene]amino]-4-methylbenzamide
InChI=1S/C26H24ClN3O3/c1-17-8-10-19(11-9-17)25(31)29-28-24-21-16-20(27)12-13-22(21)30(26(24)32)14-5-15-33-23-7-4-3-6-18(23)2/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,29,31)/b28-24-
PSVDFHJSEMXWDI-COOPMVRXSA-N
CC1=CC=C(C=C1)C(=O)N/N=C\2/C3=C(C=CC(=C3)Cl)N(C2=O)CCCOC4=CC=CC=C4C
C26H24ClN3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
461.9 g/mol
Property Name
XLogP3-AA
Property Value
6.3
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
461.1506193 g/mol
Property Name
Monoisotopic Mass
Property Value
461.1506193 g/mol
Property Name
Topological Polar Surface Area
Property Value
71 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
722
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