CID 53596151
PubChem CID
53596151
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
447.9 g/mol
Dates
- Create:2011-12-03
Chemical Structure Depiction
2-chloro-N-[(Z)-[1-[3-(2-methylphenoxy)propyl]-2-oxoindol-3-ylidene]amino]benzamide
InChI=1S/C25H22ClN3O3/c1-17-9-2-7-14-22(17)32-16-8-15-29-21-13-6-4-11-19(21)23(25(29)31)27-28-24(30)18-10-3-5-12-20(18)26/h2-7,9-14H,8,15-16H2,1H3,(H,28,30)/b27-23-
ZCFVCVFBOFEGQQ-VYIQYICTSA-N
CC1=CC=CC=C1OCCCN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=CC=C4Cl)/C2=O
C25H22ClN3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
447.9 g/mol
Property Name
XLogP3-AA
Property Value
5.9
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
7
Property Name
Exact Mass
Property Value
447.1349693 g/mol
Property Name
Monoisotopic Mass
Property Value
447.1349693 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
700
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