CID 44735835
PubChem CID
44735835
Structure
Molecular Formula
Status
Non-live
Molecular Weight
417.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[2-(2-fluorophenyl)ethyl]-2-(2-methylhexanoyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C24H36FN3O2/c1-3-4-7-18(2)23(30)28-16-20(24(17-28)11-14-26-15-12-24)22(29)27-13-10-19-8-5-6-9-21(19)25/h5-6,8-9,18,20,26H,3-4,7,10-17H2,1-2H3,(H,27,29)
APAVBCRRGCZCAL-UHFFFAOYSA-N
CCCCC(C)C(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCC3=CC=CC=C3F
C24H36FN3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
417.6 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
417.27915556 g/mol
Property Name
Monoisotopic Mass
Property Value
417.27915556 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.4 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
579
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
2
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