CID 45338217
PubChem CID
45338217
Structure
Molecular Formula
Status
Non-live
Molecular Weight
430.5 g/mol
Dates
- Create:2010-05-13
Chemical Structure Depiction
1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
InChI=1S/C22H26N2O5S/c1-15-13-17(14-19(16(15)2)30(28,29)23-3)20(25)24-11-9-22(10-12-24,21(26)27)18-7-5-4-6-8-18/h4-8,13-14,23H,9-12H2,1-3H3,(H,26,27)
ZLBAWOKDJWDHDP-UHFFFAOYSA-N
CC1=CC(=CC(=C1C)S(=O)(=O)NC)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O
C22H26N2O5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
430.5 g/mol
Property Name
XLogP3-AA
Property Value
2.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
430.15624311 g/mol
Property Name
Monoisotopic Mass
Property Value
430.15624311 g/mol
Property Name
Topological Polar Surface Area
Property Value
112 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
733
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