CID 44882907
PubChem CID
44882907
Structure
Molecular Formula
Status
Non-live
Molecular Weight
494.5 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[5-methyl-1-(2-naphthalen-2-yloxyethyl)-2-oxoindol-3-ylidene]amino]-4-nitrobenzamide
InChI=1S/C28H22N4O5/c1-18-6-13-25-24(16-18)26(29-30-27(33)20-7-10-22(11-8-20)32(35)36)28(34)31(25)14-15-37-23-12-9-19-4-2-3-5-21(19)17-23/h2-13,16-17H,14-15H2,1H3,(H,30,33)/b29-26-
VTDZFFCJWFFVAL-WCTVFOPTSA-N
CC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCOC4=CC5=CC=CC=C5C=C4
C28H22N4O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
494.5 g/mol
Property Name
XLogP3-AA
Property Value
6
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
6
Property Name
Exact Mass
Property Value
494.15901982 g/mol
Property Name
Monoisotopic Mass
Property Value
494.15901982 g/mol
Property Name
Topological Polar Surface Area
Property Value
117 A^2
Property Name
Heavy Atom Count
Property Value
37
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
880
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