CID 6795781
PubChem CID
6795781
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
468.4 g/mol
Dates
- Create:2006-06-06
Chemical Structure Depiction
4-[(2,4-dimethoxyanilino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
InChI=1S/C25H19F3N2O4/c1-33-17-10-11-21(22(13-17)34-2)29-14-20-18-8-3-4-9-19(18)23(31)30(24(20)32)16-7-5-6-15(12-16)25(26,27)28/h3-14,29H,1-2H3
WHFHAJCCGNRIBD-UHFFFAOYSA-N
COC1=CC(=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F)OC
C25H19F3N2O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
468.4 g/mol
Property Name
XLogP3-AA
Property Value
5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
468.12969158 g/mol
Property Name
Monoisotopic Mass
Property Value
468.12969158 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.9 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
787
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
0
Property Name
Undefined Bond Stereocenter Count
Property Value
1
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS