CID 51843119
PubChem CID
51843119
Structure
Molecular Formula
Status
Non-live
Molecular Weight
416.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[(2S)-1-(tert-butylamino)-3-ethyl-1-oxopentan-2-yl]-4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
InChI=1S/C24H33FN2O3/c1-7-17(8-2)21(22(28)26-24(4,5)6)27(15-20-14-9-16(3)30-20)23(29)18-10-12-19(25)13-11-18/h9-14,17,21H,7-8,15H2,1-6H3,(H,26,28)/t21-/m0/s1
FXNHQWKGDOCKJW-NRFANRHFSA-N
CCC(CC)[C@@H](C(=O)NC(C)(C)C)N(CC1=CC=C(O1)C)C(=O)C2=CC=C(C=C2)F
C24H33FN2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
416.5 g/mol
Property Name
XLogP3-AA
Property Value
4.9
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
416.24752108 g/mol
Property Name
Monoisotopic Mass
Property Value
416.24752108 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.6 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
565
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