CID 45556265
PubChem CID
45556265
Structure
Molecular Formula
Status
Non-live
Molecular Weight
461.6 g/mol
Dates
- Create:2010-06-21
Chemical Structure Depiction
4-(4-fluorophenyl)sulfonyl-N-(3-phenylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
InChI=1S/C23H28FN3O4S/c24-20-8-10-21(11-9-20)32(29,30)27-17-18-31-23(27)12-15-26(16-13-23)22(28)25-14-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-18H2,(H,25,28)
SWYPMQJLCBAKGV-UHFFFAOYSA-N
C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCCCC4=CC=CC=C4
C23H28FN3O4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
461.6 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
461.17845572 g/mol
Property Name
Monoisotopic Mass
Property Value
461.17845572 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.3 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
722
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
0
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
Old substance
Old substance
CONTENTS