CID 46122687
PubChem CID
46122687
Structure
Molecular Formula
Status
Non-live
Molecular Weight
486.6 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]naphthalene-2-carboxamide
InChI=1S/C30H31FN2O3/c1-21-9-16-27(36-21)19-32(18-22-10-14-26(31)15-11-22)28(34)20-33(30(2,3)4)29(35)25-13-12-23-7-5-6-8-24(23)17-25/h5-17H,18-20H2,1-4H3
PUYTUXNLWWTENX-UHFFFAOYSA-N
CC1=CC=C(O1)CN(CC2=CC=C(C=C2)F)C(=O)CN(C(=O)C3=CC4=CC=CC=C4C=C3)C(C)(C)C
C30H31FN2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
486.6 g/mol
Property Name
XLogP3-AA
Property Value
5.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
486.23187102 g/mol
Property Name
Monoisotopic Mass
Property Value
486.23187102 g/mol
Property Name
Topological Polar Surface Area
Property Value
53.8 A^2
Property Name
Heavy Atom Count
Property Value
36
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
745
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
CONTENTS