CID 44172797
PubChem CID
44172797
Structure
Molecular Formula
Status
Non-live
Molecular Weight
429.5 g/mol
Dates
- Create:2009-08-24
Chemical Structure Depiction
(5E)-5-[(4-benzoyloxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazol-4-olate
InChI=1S/C24H18N2O4S/c1-29-20-14-16(12-13-19(20)30-23(28)17-8-4-2-5-9-17)15-21-22(27)26-24(31-21)25-18-10-6-3-7-11-18/h2-15H,1H3,(H,25,26,27)/p-1/b21-15+
JIFSMMBYEDZMGY-RCCKNPSSSA-M
COC1=C(C=CC(=C1)/C=C/2\C(=NC(=NC3=CC=CC=C3)S2)[O-])OC(=O)C4=CC=CC=C4
C24H17N2O4S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
429.5 g/mol
Property Name
XLogP3-AA
Property Value
6.4
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
6
Property Name
Exact Mass
Property Value
429.09090320 g/mol
Property Name
Monoisotopic Mass
Property Value
429.09090320 g/mol
Property Name
Topological Polar Surface Area
Property Value
109 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
723
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