CID 44881739
PubChem CID
44881739
Structure
Molecular Formula
Status
Non-live
Molecular Weight
457.5 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[(Z)-[1-[3-(4-methoxyphenoxy)propyl]-5-methyl-2-oxoindol-3-ylidene]amino]-4-methylbenzamide
InChI=1S/C27H27N3O4/c1-18-5-8-20(9-6-18)26(31)29-28-25-23-17-19(2)7-14-24(23)30(27(25)32)15-4-16-34-22-12-10-21(33-3)11-13-22/h5-14,17H,4,15-16H2,1-3H3,(H,29,31)/b28-25-
NQANPMWXCCCCQL-FVDSYPCUSA-N
CC1=CC=C(C=C1)C(=O)N/N=C\2/C3=C(C=CC(=C3)C)N(C2=O)CCCOC4=CC=C(C=C4)OC
C27H27N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
457.5 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
5
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
457.20015635 g/mol
Property Name
Monoisotopic Mass
Property Value
457.20015635 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
725
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