CID 44881114
PubChem CID
44881114
Structure
Molecular Formula
Status
Non-live
Molecular Weight
484.4 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[1-[3-(2-bromophenoxy)propyl]-2-oxoindol-3-ylidene]amino]cyclohexanecarboxamide
InChI=1S/C24H26BrN3O3/c25-19-12-5-7-14-21(19)31-16-8-15-28-20-13-6-4-11-18(20)22(24(28)30)26-27-23(29)17-9-2-1-3-10-17/h4-7,11-14,17H,1-3,8-10,15-16H2,(H,27,29)/b26-22-
NSDWANWZVNTMSX-ROMGYVFFSA-N
C1CCC(CC1)C(=O)N/N=C\2/C3=CC=CC=C3N(C2=O)CCCOC4=CC=CC=C4Br
C24H26BrN3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
484.4 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
4
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
483.11575 g/mol
Property Name
Monoisotopic Mass
Property Value
483.11575 g/mol
Property Name
Topological Polar Surface Area
Property Value
71 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
664
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