CID 44842402
PubChem CID
44842402
Structure
Molecular Formula
Status
Non-live
Molecular Weight
430.9 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
InChI=1S/C22H23ClN2O3S/c1-4-24-20(26)18-13-7-5-6-8-17(13)29-22(18)25-21(27)19-12(3)14-10-15(23)11(2)9-16(14)28-19/h9-10H,4-8H2,1-3H3,(H,24,26)(H,25,27)
ISZZXWNGMZQAML-UHFFFAOYSA-N
CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(O3)C=C(C(=C4)Cl)C)C
C22H23ClN2O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
430.9 g/mol
Property Name
XLogP3-AA
Property Value
6.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
430.1117915 g/mol
Property Name
Monoisotopic Mass
Property Value
430.1117915 g/mol
Property Name
Topological Polar Surface Area
Property Value
99.6 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
635
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