CID 44842619
PubChem CID
44842619
Structure
Molecular Formula
Status
Non-live
Molecular Weight
462.6 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
InChI=1S/C26H26N2O4S/c1-14-10-11-18-16(3)23(32-22(18)15(14)2)25(30)28-26-21(19-8-4-5-9-20(19)33-26)24(29)27-13-17-7-6-12-31-17/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,27,29)(H,28,30)
VJKQUDZKLDAFLD-UHFFFAOYSA-N
CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CO5)C)C
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
5
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
735
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