CID 6837365
PubChem CID
6837365
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
379.4 g/mol
Dates
- Create:2006-06-06
Chemical Structure Depiction
4-methyl-3-[[4-oxo-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazol-2-yl]amino]benzoic acid
InChI=1S/C19H13N3O4S/c1-9-6-7-10(18(25)26)8-13(9)21-19-22-17(24)15(27-19)14-11-4-2-3-5-12(11)20-16(14)23/h2-8H,1H3,(H,20,23)(H,25,26)(H,21,22,24)
ZYYCMGMHMIZZPQ-UHFFFAOYSA-N
CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=O)C(=C3C4=CC=CC=C4NC3=O)S2
C19H13N3O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
379.4 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
379.06267708 g/mol
Property Name
Monoisotopic Mass
Property Value
379.06267708 g/mol
Property Name
Topological Polar Surface Area
Property Value
133 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
747
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
Old substance
Old substance
CONTENTS