CID 3980697
PubChem CID
3980697
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
460.5 g/mol
Dates
- Create:2005-09-12
Chemical Structure Depiction
[4-[(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
InChI=1S/C25H20N2O5S/c1-30-19-11-9-17(10-12-19)24(29)32-20-13-8-16(14-21(20)31-2)15-22-23(28)27-25(33-22)26-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,26,27,28)
FSVRXJGEGPHBPP-UHFFFAOYSA-N
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)NC4=CC=CC=C4)OC
C25H20N2O5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
460.5 g/mol
Property Name
XLogP3-AA
Property Value
5.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
460.10929292 g/mol
Property Name
Monoisotopic Mass
Property Value
460.10929292 g/mol
Property Name
Topological Polar Surface Area
Property Value
112 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
756
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
Old substance
Old substance
CONTENTS