CID 44880627
PubChem CID
44880627
Structure
Molecular Formula
Status
Non-live
Molecular Weight
492.4 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[5-bromo-1-[2-(2-methylphenoxy)ethyl]-2-oxoindol-3-ylidene]amino]-2-phenylacetamide
InChI=1S/C25H22BrN3O3/c1-17-7-5-6-10-22(17)32-14-13-29-21-12-11-19(26)16-20(21)24(25(29)31)28-27-23(30)15-18-8-3-2-4-9-18/h2-12,16H,13-15H2,1H3,(H,27,30)/b28-24-
LLPSPCOGSNYHIC-COOPMVRXSA-N
CC1=CC=CC=C1OCCN2C3=C(C=C(C=C3)Br)/C(=N/NC(=O)CC4=CC=CC=C4)/C2=O
C25H22BrN3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
492.4 g/mol
Property Name
XLogP3-AA
Property Value
5.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
491.08445 g/mol
Property Name
Monoisotopic Mass
Property Value
491.08445 g/mol
Property Name
Topological Polar Surface Area
Property Value
71 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
694
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