CID 44881825
PubChem CID
44881825
Structure
Molecular Formula
Status
Non-live
Molecular Weight
512.4 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[5-chloro-1-[3-(3-methylphenoxy)propyl]-2-oxoindol-3-ylidene]amino]-2-(4-chlorophenoxy)acetamide
InChI=1S/C26H23Cl2N3O4/c1-17-4-2-5-21(14-17)34-13-3-12-31-23-11-8-19(28)15-22(23)25(26(31)33)30-29-24(32)16-35-20-9-6-18(27)7-10-20/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,29,32)/b30-25-
WQMIDFMRDPPHTI-JVCXMKTPSA-N
CC1=CC(=CC=C1)OCCCN2C3=C(C=C(C=C3)Cl)/C(=N/NC(=O)COC4=CC=C(C=C4)Cl)/C2=O
C26H23Cl2N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
512.4 g/mol
Property Name
XLogP3-AA
Property Value
6.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
511.1065616 g/mol
Property Name
Monoisotopic Mass
Property Value
511.1065616 g/mol
Property Name
Topological Polar Surface Area
Property Value
80.2 A^2
Property Name
Heavy Atom Count
Property Value
35
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
759
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