CID 51842979
PubChem CID
51842979
Structure
Molecular Formula
Status
Non-live
Molecular Weight
428.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[(1S)-2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
InChI=1S/C25H33FN2O3/c1-3-4-16-27-24(29)23(19-8-6-5-7-9-19)28(17-22-15-10-18(2)31-22)25(30)20-11-13-21(26)14-12-20/h10-15,19,23H,3-9,16-17H2,1-2H3,(H,27,29)/t23-/m0/s1
FCGZGRGEHVVHPR-QHCPKHFHSA-N
CCCCNC(=O)[C@H](C1CCCCC1)N(CC2=CC=C(O2)C)C(=O)C3=CC=C(C=C3)F
C25H33FN2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
428.5 g/mol
Property Name
XLogP3-AA
Property Value
5.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
428.24752108 g/mol
Property Name
Monoisotopic Mass
Property Value
428.24752108 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.6 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
573
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