CID 51619816
PubChem CID
51619816
Structure
Molecular Formula
Status
Non-live
Molecular Weight
348.8 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-(4-chloro-2-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]acetamide
InChI=1S/C18H22ClN3O2/c1-14-11-15(19)4-5-17(14)20-18(23)13-22-8-6-21(7-9-22)12-16-3-2-10-24-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,23)/p+1
CHEZHADDLQTFSP-UHFFFAOYSA-O
CC1=C(C=CC(=C1)Cl)NC(=O)CN2CC[NH+](CC2)CC3=CC=CO3
C18H23ClN3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
348.8 g/mol
Property Name
XLogP3-AA
Property Value
2.6
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
348.1478797 g/mol
Property Name
Monoisotopic Mass
Property Value
348.1478797 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
415
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