CID 46547226
PubChem CID
46547226
Structure
Molecular Formula
Status
Non-live
Molecular Weight
448.5 g/mol
Dates
- Create:2010-07-23
Chemical Structure Depiction
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
InChI=1S/C25H25FN4O3/c1-15-23-19(13-21(28-25(23)33-29-15)18-7-5-6-8-20(18)26)24(31)27-14-22(30(2)3)16-9-11-17(32-4)12-10-16/h5-13,22H,14H2,1-4H3,(H,27,31)
ZGEWXOXXAJVUIY-UHFFFAOYSA-N
CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3F)C(=O)NCC(C4=CC=C(C=C4)OC)N(C)C
C25H25FN4O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
448.5 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
448.19106883 g/mol
Property Name
Monoisotopic Mass
Property Value
448.19106883 g/mol
Property Name
Topological Polar Surface Area
Property Value
80.5 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
645
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
1
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