CID 52301077
PubChem CID
52301077
Structure
Molecular Formula
Status
Non-live
Molecular Weight
328.4 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-(furan-2-ylmethyl)-4-(4-propan-2-ylpiperazin-4-ium-1-yl)benzamide
InChI=1S/C19H25N3O2/c1-15(2)21-9-11-22(12-10-21)17-7-5-16(6-8-17)19(23)20-14-18-4-3-13-24-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,23)/p+1
ZUQCMUKTALPRBB-UHFFFAOYSA-O
CC(C)[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3
C19H26N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
328.4 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
328.20250208 g/mol
Property Name
Monoisotopic Mass
Property Value
328.20250208 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.9 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
399
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