CID 44882527
PubChem CID
44882527
Structure
Molecular Formula
Status
Non-live
Molecular Weight
522.4 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[5-bromo-1-[3-(4-methoxyphenoxy)propyl]-2-oxoindol-3-ylidene]amino]-2-phenylacetamide
InChI=1S/C26H24BrN3O4/c1-33-20-9-11-21(12-10-20)34-15-5-14-30-23-13-8-19(27)17-22(23)25(26(30)32)29-28-24(31)16-18-6-3-2-4-7-18/h2-4,6-13,17H,5,14-16H2,1H3,(H,28,31)/b29-25-
UDMHUFAEKSEBDU-GNVQSUKOSA-N
COC1=CC=C(C=C1)OCCCN2C3=C(C=C(C=C3)Br)/C(=N/NC(=O)CC4=CC=CC=C4)/C2=O
C26H24BrN3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
522.4 g/mol
Property Name
XLogP3-AA
Property Value
5.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
521.09502 g/mol
Property Name
Monoisotopic Mass
Property Value
521.09502 g/mol
Property Name
Topological Polar Surface Area
Property Value
80.2 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
719
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