CID 51511687
PubChem CID
51511687
Structure
Molecular Formula
Status
Non-live
Molecular Weight
355.4 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
4-[(Z)-(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,6-dimethoxyphenolate
InChI=1S/C18H16N2O4S/c1-23-13-8-11(9-14(24-2)16(13)21)10-15-17(22)20-18(25-15)19-12-6-4-3-5-7-12/h3-10,21H,1-2H3,(H,19,20,22)/p-1/b15-10-
OHXJLSGEBDJJDV-GDNBJRDFSA-M
COC1=CC(=CC(=C1[O-])OC)/C=C\2/C(=O)N=C(S2)NC3=CC=CC=C3
C18H15N2O4S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
355.4 g/mol
Property Name
XLogP3-AA
Property Value
4.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
355.07525314 g/mol
Property Name
Monoisotopic Mass
Property Value
355.07525314 g/mol
Property Name
Topological Polar Surface Area
Property Value
108 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
531
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
Old substance
CONTENTS