CID 44879449
PubChem CID
44879449
Structure
Molecular Formula
Status
Non-live
Molecular Weight
484.5 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[4-[(2Z)-2-[1-[2-(2-methylphenoxy)ethyl]-2-oxoindol-3-ylidene]hydrazinyl]-4-oxobutyl]benzamide
InChI=1S/C28H28N4O4/c1-20-10-5-8-15-24(20)36-19-18-32-23-14-7-6-13-22(23)26(28(32)35)31-30-25(33)16-9-17-29-27(34)21-11-3-2-4-12-21/h2-8,10-15H,9,16-19H2,1H3,(H,29,34)(H,30,33)/b31-26-
JRLBUSKTXBTYDE-ZXPTYKNPSA-N
CC1=CC=CC=C1OCCN2C3=CC=CC=C3/C(=N/NC(=O)CCCNC(=O)C4=CC=CC=C4)/C2=O
C28H28N4O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
484.5 g/mol
Property Name
XLogP3-AA
Property Value
4.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
484.21105539 g/mol
Property Name
Monoisotopic Mass
Property Value
484.21105539 g/mol
Property Name
Topological Polar Surface Area
Property Value
100 A^2
Property Name
Heavy Atom Count
Property Value
36
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
794
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