CID 5602517
PubChem CID
5602517
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
389.4 g/mol
Dates
- Create:2005-07-13
Chemical Structure Depiction
(5E)-5-(2-oxo-1H-indol-3-ylidene)-2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-one
InChI=1S/C18H10F3N3O2S/c19-18(20,21)10-6-2-4-8-12(10)23-17-24-16(26)14(27-17)13-9-5-1-3-7-11(9)22-15(13)25/h1-8H,(H,22,25)(H,23,24,26)/b14-13+
HABZCFHZDJIABK-BUHFOSPRSA-N
C1=CC=C2C(=C1)/C(=C\3/C(=O)N=C(S3)NC4=CC=CC=C4C(F)(F)F)/C(=O)N2
C18H10F3N3O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
389.4 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
389.04458223 g/mol
Property Name
Monoisotopic Mass
Property Value
389.04458223 g/mol
Property Name
Topological Polar Surface Area
Property Value
95.9 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
719
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
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CONTENTS