CID 17590522
PubChem CID
17590522
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
384.5 g/mol
Dates
- Create:2007-11-13
Chemical Structure Depiction
4-[[(E)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]amino]benzoic acid
InChI=1S/C19H16N2O3S2/c22-17-16(12-20-15-8-6-14(7-9-15)18(23)24)26-19(25)21(17)11-10-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,23,24)/b16-12+
HYORKLALNQEAEK-FOWTUZBSSA-N
C1=CC=C(C=C1)CCN2C(=O)/C(=C\NC3=CC=C(C=C3)C(=O)O)/SC2=S
C19H16N2O3S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
384.5 g/mol
Property Name
XLogP3-AA
Property Value
4.2
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
6
Property Name
Exact Mass
Property Value
384.06023472 g/mol
Property Name
Monoisotopic Mass
Property Value
384.06023472 g/mol
Property Name
Topological Polar Surface Area
Property Value
127A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
579
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