CID 32730308
PubChem CID
32730308
Structure
Molecular Formula
Status
Non-live
Molecular Weight
365.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
dimethyl-[(1R)-2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]-1-phenylethyl]azanium
InChI=1S/C22H24N2O3/c1-24(2)20(17-9-5-3-6-10-17)15-23-22(25)21-14-13-19(27-21)16-26-18-11-7-4-8-12-18/h3-14,20H,15-16H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1
PDTGCWVOOSUCTG-FQEVSTJZSA-O
C[NH+](C)[C@@H](CNC(=O)C1=CC=C(O1)COC2=CC=CC=C2)C3=CC=CC=C3
C22H25N2O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
365.4 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
365.18651766 g/mol
Property Name
Monoisotopic Mass
Property Value
365.18651766 g/mol
Property Name
Topological Polar Surface Area
Property Value
55.9 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
445
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
Old substance
CONTENTS