CID 27106257
PubChem CID
27106257
Structure
Molecular Formula
Status
Non-live
Molecular Weight
404.5 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
cyclopropyl-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
InChI=1S/C21H26FN3O2S/c1-2-24(14-20(26)23-12-18-7-5-11-28-18)21(27)15-25(17-9-10-17)13-16-6-3-4-8-19(16)22/h3-8,11,17H,2,9-10,12-15H2,1H3,(H,23,26)/p+1
GLZUVEPYERNTLR-UHFFFAOYSA-O
CCN(CC(=O)NCC1=CC=CS1)C(=O)C[NH+](CC2=CC=CC=C2F)C3CC3
C21H27FN3O2S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
404.5 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
404.18080145 g/mol
Property Name
Monoisotopic Mass
Property Value
404.18080145 g/mol
Property Name
Topological Polar Surface Area
Property Value
82.1 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
532
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
Old substance
Old substance
CONTENTS