CID 51748676
PubChem CID
51748676
Structure
Molecular Formula
Status
Non-live
Molecular Weight
492.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2R)-2-(1,3-benzodioxol-5-yl)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-(furan-2-ylmethyl)amino]-N-tert-butylacetamide
InChI=1S/C27H28N2O7/c1-27(2,3)28-26(31)25(18-7-9-21-23(13-18)36-16-34-21)29(14-19-5-4-10-32-19)24(30)12-17-6-8-20-22(11-17)35-15-33-20/h4-11,13,25H,12,14-16H2,1-3H3,(H,28,31)/t25-/m1/s1
NKKJHJQLHKVODG-RUZDIDTESA-N
CC(C)(C)NC(=O)[C@@H](C1=CC2=C(C=C1)OCO2)N(CC3=CC=CO3)C(=O)CC4=CC5=C(C=C4)OCO5
C27H28N2O7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
492.5 g/mol
Property Name
XLogP3-AA
Property Value
3.6
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
8
Property Name
Exact Mass
Property Value
492.18965124 g/mol
Property Name
Monoisotopic Mass
Property Value
492.18965124 g/mol
Property Name
Topological Polar Surface Area
Property Value
99.5 A^2
Property Name
Heavy Atom Count
Property Value
36
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
787
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