CID 44735825
PubChem CID
44735825
Structure
Molecular Formula
Status
Non-live
Molecular Weight
451.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[2-(2-fluorophenyl)ethyl]-2-(4-phenylbutanoyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C27H34FN3O2/c28-24-11-5-4-10-22(24)13-16-30-26(33)23-19-31(20-27(23)14-17-29-18-15-27)25(32)12-6-9-21-7-2-1-3-8-21/h1-5,7-8,10-11,23,29H,6,9,12-20H2,(H,30,33)
AWIOTVRWHDORNL-UHFFFAOYSA-N
C1CNCCC12CN(CC2C(=O)NCCC3=CC=CC=C3F)C(=O)CCCC4=CC=CC=C4
C27H34FN3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
451.6 g/mol
Property Name
XLogP3-AA
Property Value
3.3
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
451.26350550 g/mol
Property Name
Monoisotopic Mass
Property Value
451.26350550 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.4 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
645
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