CID 45555940
PubChem CID
45555940
Structure
Molecular Formula
Status
Non-live
Molecular Weight
471.0 g/mol
Dates
- Create:2010-06-21
Chemical Structure Depiction
4-(benzenesulfonyl)-8-[(2-chlorophenyl)methylsulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
InChI=1S/C20H23ClN2O5S2/c21-19-9-5-4-6-17(19)16-29(24,25)22-12-10-20(11-13-22)23(14-15-28-20)30(26,27)18-7-2-1-3-8-18/h1-9H,10-16H2
DINHGXSXYFLVPE-UHFFFAOYSA-N
C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4Cl
C20H23ClN2O5S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
471.0 g/mol
Property Name
XLogP3-AA
Property Value
2.6
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
470.0736919 g/mol
Property Name
Monoisotopic Mass
Property Value
470.0736919 g/mol
Property Name
Topological Polar Surface Area
Property Value
101 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
794
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