CID 41063831
PubChem CID
41063831
Structure
Molecular Formula
Status
Non-live
Molecular Weight
398.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide
InChI=1S/C21H24FN5O2/c1-14-20-17(3-2-4-18(20)28)24-21(23-14)25-19(29)13-26-9-11-27(12-10-26)16-7-5-15(22)6-8-16/h5-8H,2-4,9-13H2,1H3,(H,23,24,25,29)/p+1
VIPRDXXAWADJNE-UHFFFAOYSA-O
CC1=C2C(=NC(=N1)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)CCCC2=O
C21H25FN5O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
398.5 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
398.19922822 g/mol
Property Name
Monoisotopic Mass
Property Value
398.19922822 g/mol
Property Name
Topological Polar Surface Area
Property Value
79.6 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
590
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
Old substance
CONTENTS