CID 32777229
PubChem CID
32777229
Structure
Molecular Formula
Status
Non-live
Molecular Weight
340.24 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-methylbenzamide
InChI=1S/C14H14BrNO2S/c1-9-3-4-10(7-12(9)18-2)14(17)16-8-11-5-6-13(15)19-11/h3-7H,8H2,1-2H3,(H,16,17)
SSZRAZUZHVVGAR-UHFFFAOYSA-N
CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(S2)Br)OC
C14H14BrNO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
340.24 g/mol
Property Name
XLogP3-AA
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
338.99286 g/mol
Property Name
Monoisotopic Mass
Property Value
338.99286 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.6 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
316
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
Old substance
Old substance
CONTENTS