CID 44842616
PubChem CID
44842616
Structure
Molecular Formula
Status
Non-live
Molecular Weight
440.6 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
InChI=1S/C24H28N2O4S/c1-13-9-10-16-15(3)21(30-20(16)14(13)2)23(28)26-24-19(22(27)25-11-12-29-4)17-7-5-6-8-18(17)31-24/h9-10H,5-8,11-12H2,1-4H3,(H,25,27)(H,26,28)
IOWCMFIYFSXHMC-UHFFFAOYSA-N
CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCCOC)C)C
C24H28N2O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
440.6 g/mol
Property Name
XLogP3-AA
Property Value
5.5
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
440.17697855 g/mol
Property Name
Monoisotopic Mass
Property Value
440.17697855 g/mol
Property Name
Topological Polar Surface Area
Property Value
109 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
661
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