CID 44779795
PubChem CID
44779795
Structure
Molecular Formula
Status
Non-live
Molecular Weight
514.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
(2,3-diphenylquinoxalin-6-yl)-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
InChI=1S/C31H26N6O2/c1-21-19-33-27(20-32-21)31(39)37-16-14-36(15-17-37)30(38)24-12-13-25-26(18-24)35-29(23-10-6-3-7-11-23)28(34-25)22-8-4-2-5-9-22/h2-13,18-20H,14-17H2,1H3
DPANNWCTZSBFOR-UHFFFAOYSA-N
CC1=CN=C(C=N1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6
C31H26N6O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
514.6 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
514.21172409 g/mol
Property Name
Monoisotopic Mass
Property Value
514.21172409 g/mol
Property Name
Topological Polar Surface Area
Property Value
92.2 A^2
Property Name
Heavy Atom Count
Property Value
39
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
835
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
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS