CID 20543501
PubChem CID
20543501
Structure
Molecular Formula
Status
Non-live
Molecular Weight
406.5 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
1,2-bis(phenylmethoxy)benzene;1-(diaminomethylidene)-3-methylurea
InChI=1S/C20H18O2.C3H8N4O/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;1-6-3(8)7-2(4)5/h1-14H,15-16H2;1H3,(H5,4,5,6,7,8)
BQUTXJKCFDZCDJ-UHFFFAOYSA-N
CNC(=O)N=C(N)N.C1=CC=C(C=C1)COC2=CC=CC=C2OCC3=CC=CC=C3
C23H26N4O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
406.5 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
406.20049070 g/mol
Property Name
Monoisotopic Mass
Property Value
406.20049070 g/mol
Property Name
Topological Polar Surface Area
Property Value
112 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
377
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS