CID 44882805
PubChem CID
44882805
Structure
Molecular Formula
Status
Non-live
Molecular Weight
508.5 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[5-methyl-1-(3-naphthalen-2-yloxypropyl)-2-oxoindol-3-ylidene]amino]-3-nitrobenzamide
InChI=1S/C29H24N4O5/c1-19-10-13-26-25(16-19)27(30-31-28(34)22-8-4-9-23(17-22)33(36)37)29(35)32(26)14-5-15-38-24-12-11-20-6-2-3-7-21(20)18-24/h2-4,6-13,16-18H,5,14-15H2,1H3,(H,31,34)/b30-27-
ZYZQCOXGSBZGFY-IKPAITLHSA-N
CC1=CC\2=C(C=C1)N(C(=O)/C2=N\NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCCOC4=CC5=CC=CC=C5C=C4
C29H24N4O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
508.5 g/mol
Property Name
XLogP3-AA
Property Value
6.4
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
7
Property Name
Exact Mass
Property Value
508.17466988 g/mol
Property Name
Monoisotopic Mass
Property Value
508.17466988 g/mol
Property Name
Topological Polar Surface Area
Property Value
117 A^2
Property Name
Heavy Atom Count
Property Value
38
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
904
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