CID 6837378
PubChem CID
6837378
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
428.3 g/mol
Dates
- Create:2006-06-06
Chemical Structure Depiction
5-(5-bromo-2-oxo-1H-indol-3-ylidene)-2-(4-ethylanilino)-1,3-thiazol-4-one
InChI=1S/C19H14BrN3O2S/c1-2-10-3-6-12(7-4-10)21-19-23-18(25)16(26-19)15-13-9-11(20)5-8-14(13)22-17(15)24/h3-9H,2H2,1H3,(H,22,24)(H,21,23,25)
ZIQWVFIIZVEPIG-UHFFFAOYSA-N
CCC1=CC=C(C=C1)NC2=NC(=O)C(=C3C4=C(C=CC(=C4)Br)NC3=O)S2
C19H14BrN3O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
428.3 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
426.99901 g/mol
Property Name
Monoisotopic Mass
Property Value
426.99901 g/mol
Property Name
Topological Polar Surface Area
Property Value
95.9 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
670
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
CONTENTS