CID 44842143
PubChem CID
44842143
Structure
Molecular Formula
Status
Non-live
Molecular Weight
475.0 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1-benzofuran-2-carboxamide
InChI=1S/C24H27ClN2O4S/c1-3-30-12-6-11-26-22(28)20-16-7-4-5-8-19(16)32-24(20)27-23(29)21-14(2)17-13-15(25)9-10-18(17)31-21/h9-10,13H,3-8,11-12H2,1-2H3,(H,26,28)(H,27,29)
IHGFZTVGRIHRIU-UHFFFAOYSA-N
CCOCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(O3)C=CC(=C4)Cl)C
C24H27ClN2O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
475.0 g/mol
Property Name
XLogP3-AA
Property Value
6.1
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
8
Property Name
Exact Mass
Property Value
474.1380062 g/mol
Property Name
Monoisotopic Mass
Property Value
474.1380062 g/mol
Property Name
Topological Polar Surface Area
Property Value
109 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
668
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
CONTENTS