CID 53454284
PubChem CID
53454284
Structure
Molecular Formula
Status
Non-live
Molecular Weight
384.4 g/mol
Dates
- Create:2011-10-30
Chemical Structure Depiction
4-[[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
InChI=1S/C19H15NO6S/c1-26-15-8-12(4-7-14(15)21)9-16-17(22)20(19(25)27-16)10-11-2-5-13(6-3-11)18(23)24/h2-9,21H,10H2,1H3,(H,23,24)/p-1
QZDNSDYYDJVQFV-UHFFFAOYSA-M
Isomeric SMILES
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C(=O)[O-])O
C19H14NO6S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
384.4 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
384.05418334 g/mol
Property Name
Monoisotopic Mass
Property Value
384.05418334 g/mol
Property Name
Topological Polar Surface Area
Property Value
132A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
622
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
1
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS