CID 1591054
PubChem CID
1591054
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
365.4 g/mol
Dates
- Create:2005-07-11
Chemical Structure Depiction
(5E)-2-(3-methoxyanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one
InChI=1S/C19H15N3O3S/c1-22-14-9-4-3-8-13(14)15(18(22)24)16-17(23)21-19(26-16)20-11-6-5-7-12(10-11)25-2/h3-10H,1-2H3,(H,20,21,23)/b16-15+
XIXPBOMXHLAKRH-FOCLMDBBSA-N
CN1C2=CC=CC=C2/C(=C\3/C(=O)N=C(S3)NC4=CC(=CC=C4)OC)/C1=O
C19H15N3O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
365.4 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
365.08341252 g/mol
Property Name
Monoisotopic Mass
Property Value
365.08341252 g/mol
Property Name
Topological Polar Surface Area
Property Value
96.3 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
675
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