CID 51777887
PubChem CID
51777887
Structure
Molecular Formula
Status
Non-live
Molecular Weight
454.6 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methylamino]-2-(2-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
InChI=1S/C26H34N2O5/c1-25(2,3)15-26(4,5)27-24(31)23(18-9-7-8-10-19(18)29)28(6)22(30)14-17-11-12-20-21(13-17)33-16-32-20/h7-13,23,29H,14-16H2,1-6H3,(H,27,31)/t23-/m0/s1
BDPRADMDNLYAPF-QHCPKHFHSA-N
CC(C)(C)CC(C)(C)NC(=O)[C@H](C1=CC=CC=C1O)N(C)C(=O)CC2=CC3=C(C=C2)OCO3
C26H34N2O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
454.6 g/mol
Property Name
XLogP3-AA
Property Value
4.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
454.24677219 g/mol
Property Name
Monoisotopic Mass
Property Value
454.24677219 g/mol
Property Name
Topological Polar Surface Area
Property Value
88.1 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
689
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