CID 45338245
PubChem CID
45338245
Structure
Molecular Formula
Status
Non-live
Molecular Weight
432.5 g/mol
Dates
- Create:2010-05-13
Chemical Structure Depiction
1-[3-[methoxy(methyl)sulfamoyl]benzoyl]-4-phenylpiperidine-4-carboxylic acid
InChI=1S/C21H24N2O6S/c1-22(29-2)30(27,28)18-10-6-7-16(15-18)19(24)23-13-11-21(12-14-23,20(25)26)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3,(H,25,26)
FWRWLKBTXBWHMA-UHFFFAOYSA-N
CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O
C21H24N2O6S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
432.5 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
432.13550766 g/mol
Property Name
Monoisotopic Mass
Property Value
432.13550766 g/mol
Property Name
Topological Polar Surface Area
Property Value
113 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
720
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
CONTENTS