CID 51842976
PubChem CID
51842976
Structure
Molecular Formula
Status
Non-live
Molecular Weight
484.6 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[(1S)-1-cyclohexyl-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
InChI=1S/C29H41FN2O3/c1-20-12-17-24(35-20)18-32(27(34)22-13-15-23(30)16-14-22)25(21-10-8-7-9-11-21)26(33)31-29(5,6)19-28(2,3)4/h12-17,21,25H,7-11,18-19H2,1-6H3,(H,31,33)/t25-/m0/s1
ZIECAASBXZZCAO-VWLOTQADSA-N
CC1=CC=C(O1)CN([C@@H](C2CCCCC2)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C3=CC=C(C=C3)F
C29H41FN2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
484.6 g/mol
Property Name
XLogP3-AA
Property Value
6.9
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
484.31012134 g/mol
Property Name
Monoisotopic Mass
Property Value
484.31012134 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.6 A^2
Property Name
Heavy Atom Count
Property Value
35
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
705
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