CID 51499614
PubChem CID
51499614
Structure
Molecular Formula
Status
Non-live
Molecular Weight
394.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
2-[[2-(2,7-dimethyl-1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]ethyl-dimethylazanium
InChI=1S/C24H31N3O2/c1-17-9-8-11-20-21(18(2)25-24(17)20)15-23(28)27(14-13-26(3)4)16-19-10-6-7-12-22(19)29-5/h6-12,25H,13-16H2,1-5H3/p+1
GVNMLTFUIOIZJR-UHFFFAOYSA-O
CC1=C2C(=CC=C1)C(=C(N2)C)CC(=O)N(CC[NH+](C)C)CC3=CC=CC=C3OC
C24H32N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
394.5 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
394.24945227 g/mol
Property Name
Monoisotopic Mass
Property Value
394.24945227 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.8 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
526
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
0
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
Old substance
CONTENTS