CID 41021061
PubChem CID
41021061
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
420.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(5E)-1-(2-methylphenyl)-4,6-dioxo-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidin-2-olate
InChI=1S/C26H19N3O3/c1-16-9-5-8-14-22(16)29-25(31)20(24(30)28-26(29)32)15-19-18-12-6-7-13-21(18)27-23(19)17-10-3-2-4-11-17/h2-15,27H,1H3,(H,28,30,32)/p-1/b20-15+
FMAZQGAUXTVVGQ-HMMYKYKNSA-M
CC1=CC=CC=C1N2C(=O)/C(=C/C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)/C(=O)N=C2[O-]
C26H18N3O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
420.4 g/mol
Property Name
XLogP3-AA
Property Value
5.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
420.13481644 g/mol
Property Name
Monoisotopic Mass
Property Value
420.13481644 g/mol
Property Name
Topological Polar Surface Area
Property Value
88.6 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
800
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