CID 44842250
PubChem CID
44842250
Structure
Molecular Formula
Status
Non-live
Molecular Weight
462.6 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
5-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1-benzofuran-2-carboxamide
InChI=1S/C26H26N2O4S/c1-3-16-10-11-20-19(13-16)15(2)23(32-20)25(30)28-26-22(18-8-4-5-9-21(18)33-26)24(29)27-14-17-7-6-12-31-17/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,27,29)(H,28,30)
YHRHROXXKDUBBL-UHFFFAOYSA-N
CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CO5
C26H26N2O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
462.6 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
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
462.16132849 g/mol
Property Name
Monoisotopic Mass
Property Value
462.16132849 g/mol
Property Name
Topological Polar Surface Area
Property Value
113 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
720
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