CID 51748611
PubChem CID
51748611
Structure
Molecular Formula
Status
Non-live
Molecular Weight
508.6 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-(furan-2-ylmethyl)amino]-N-tert-butyl-2-(3,4-dimethoxyphenyl)acetamide
InChI=1S/C28H32N2O7/c1-28(2,3)29-27(32)26(19-9-11-21(33-4)23(15-19)34-5)30(16-20-7-6-12-35-20)25(31)14-18-8-10-22-24(13-18)37-17-36-22/h6-13,15,26H,14,16-17H2,1-5H3,(H,29,32)/t26-/m0/s1
XRUUFOUPYUQHTN-SANMLTNESA-N
CC(C)(C)NC(=O)[C@H](C1=CC(=C(C=C1)OC)OC)N(CC2=CC=CO2)C(=O)CC3=CC4=C(C=C3)OCO4
C28H32N2O7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
508.6 g/mol
Property Name
XLogP3-AA
Property Value
3.7
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
10
Property Name
Exact Mass
Property Value
508.22095136 g/mol
Property Name
Monoisotopic Mass
Property Value
508.22095136 g/mol
Property Name
Topological Polar Surface Area
Property Value
99.5 A^2
Property Name
Heavy Atom Count
Property Value
37
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
772
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS