CID 30537793
PubChem CID
30537793
Structure
Molecular Formula
Status
Non-live
Molecular Weight
470.6 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
InChI=1S/C26H34N2O6/c1-6-7-12-28-24(29)14-20(25(28)17-8-10-19(31-2)11-9-17)26(30)27-16-18-13-22(33-4)23(34-5)15-21(18)32-3/h8-11,13,15,20,25H,6-7,12,14,16H2,1-5H3,(H,27,30)/t20-,25-/m0/s1
LFKIHDXYFBBGEC-CPJSRVTESA-N
CCCCN1[C@H]([C@H](CC1=O)C(=O)NCC2=CC(=C(C=C2OC)OC)OC)C3=CC=C(C=C3)OC
C26H34N2O6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
470.6 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
11
Property Name
Exact Mass
Property Value
470.24168681 g/mol
Property Name
Monoisotopic Mass
Property Value
470.24168681 g/mol
Property Name
Topological Polar Surface Area
Property Value
86.3 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
653
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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