CID 47407551
PubChem CID
47407551
Structure
Molecular Formula
Status
Non-live
Molecular Weight
293.4 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
InChI=1S/C16H23NO2S/c18-16(17-11-13-7-4-5-9-19-13)15-10-12-6-2-1-3-8-14(12)20-15/h10,13H,1-9,11H2,(H,17,18)
SDRHNKXCUPWNFF-UHFFFAOYSA-N
C1CCC2=C(CC1)SC(=C2)C(=O)NCC3CCCCO3
C16H23NO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
293.4 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
293.14495015 g/mol
Property Name
Monoisotopic Mass
Property Value
293.14495015 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
336
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