CID 44735849
PubChem CID
44735849
Structure
Molecular Formula
Status
Non-live
Molecular Weight
403.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpentanoyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C23H34FN3O2/c1-3-17(2)14-21(28)27-15-19(23(16-27)9-12-25-13-10-23)22(29)26-11-8-18-6-4-5-7-20(18)24/h4-7,17,19,25H,3,8-16H2,1-2H3,(H,26,29)
NWRLBZDQPOUVFH-UHFFFAOYSA-N
CCC(C)CC(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCC3=CC=CC=C3F
C23H34FN3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
403.5 g/mol
Property Name
XLogP3-AA
Property Value
2.8
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
7
Property Name
Exact Mass
Property Value
403.26350550 g/mol
Property Name
Monoisotopic Mass
Property Value
403.26350550 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.4 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
564
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