CID 44842326
PubChem CID
44842326
Structure
Molecular Formula
Status
Non-live
Molecular Weight
452.6 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
3,5,7-trimethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-benzofuran-2-carboxamide
InChI=1S/C25H28N2O4S/c1-13-10-14(2)21-18(11-13)15(3)22(31-21)24(29)27-25-20(17-7-4-8-19(17)32-25)23(28)26-12-16-6-5-9-30-16/h10-11,16H,4-9,12H2,1-3H3,(H,26,28)(H,27,29)
UUVDOAXEXLCWND-UHFFFAOYSA-N
CC1=CC(=C2C(=C1)C(=C(O2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)NCC5CCCO5)C)C
C25H28N2O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
452.6 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
5
Property Name
Exact Mass
Property Value
452.17697855 g/mol
Property Name
Monoisotopic Mass
Property Value
452.17697855 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
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
1
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