CID 51748683
PubChem CID
51748683
Structure
Molecular Formula
Status
Non-live
Molecular Weight
494.5 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-(4-hydroxy-3-methoxyphenyl)acetamide
InChI=1S/C27H30N2O7/c1-27(2,3)28-26(32)25(18-8-9-20(30)22(14-18)33-4)29(15-19-6-5-11-34-19)24(31)13-17-7-10-21-23(12-17)36-16-35-21/h5-12,14,25,30H,13,15-16H2,1-4H3,(H,28,32)/t25-/m0/s1
DWCZSPVUGQQSRO-VWLOTQADSA-N
CC(C)(C)NC(=O)[C@H](C1=CC(=C(C=C1)O)OC)N(CC2=CC=CO2)C(=O)CC3=CC4=C(C=C3)OCO4
C27H30N2O7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
494.5 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
494.20530130 g/mol
Property Name
Monoisotopic Mass
Property Value
494.20530130 g/mol
Property Name
Topological Polar Surface Area
Property Value
110 A^2
Property Name
Heavy Atom Count
Property Value
36
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
757
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