CID 45556284
PubChem CID
45556284
Structure
Molecular Formula
Status
Non-live
Molecular Weight
493.5 g/mol
Dates
- Create:2010-06-21
Chemical Structure Depiction
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
InChI=1S/C23H28FN3O6S/c1-31-20-8-3-17(15-21(20)32-2)16-25-22(28)26-11-9-23(10-12-26)27(13-14-33-23)34(29,30)19-6-4-18(24)5-7-19/h3-8,15H,9-14,16H2,1-2H3,(H,25,28)
MQBRPCDMTDVGDP-UHFFFAOYSA-N
COC1=C(C=C(C=C1)CNC(=O)N2CCC3(CC2)N(CCO3)S(=O)(=O)C4=CC=C(C=C4)F)OC
C23H28FN3O6S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
493.5 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
493.16828496 g/mol
Property Name
Monoisotopic Mass
Property Value
493.16828496 g/mol
Property Name
Topological Polar Surface Area
Property Value
106 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
793
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