CID 41518980
PubChem CID
41518980
Structure
Molecular Formula
Status
Non-live
Molecular Weight
354.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
1-benzyl-3,7-bis(2-methylpropyl)purine-2,6-dione
InChI=1S/C20H26N4O2/c1-14(2)10-22-13-21-18-17(22)19(25)24(12-16-8-6-5-7-9-16)20(26)23(18)11-15(3)4/h5-9,13-15H,10-12H2,1-4H3
NOZMKAFPKZDOSU-UHFFFAOYSA-N
CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=CC=CC=C3
C20H26N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
354.4 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
354.20557608 g/mol
Property Name
Monoisotopic Mass
Property Value
354.20557608 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.4 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
516
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
Old substance
Old substance
Old substance
CONTENTS