CID 44962550
PubChem CID
44962550
Structure
Molecular Formula
Status
Non-live
Molecular Weight
397.9 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
4-fluoro-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
InChI=1S/C18H20FN3O2S.ClH/c19-15-5-3-14(4-6-15)17(23)20-7-8-21-9-11-22(12-10-21)18(24)16-2-1-13-25-16;/h1-6,13H,7-12H2,(H,20,23);1H
XFBJXJPTIOHSKV-UHFFFAOYSA-N
C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CS3.Cl
C18H21ClFN3O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
397.9 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
397.1027040 g/mol
Property Name
Monoisotopic Mass
Property Value
397.1027040 g/mol
Property Name
Topological Polar Surface Area
Property Value
80.9 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
463
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS