CID 39176294
PubChem CID
39176294
Structure
Molecular Formula
Status
Non-live
Molecular Weight
325.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[3-[[2-(4-ethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]amino]-3-oxopropyl]azanium
InChI=1S/C18H20N4O2/c1-2-24-15-6-3-13(4-7-15)16-12-22-11-14(5-8-17(22)21-16)20-18(23)9-10-19/h3-8,11-12H,2,9-10,19H2,1H3,(H,20,23)/p+1
DVIOBIXWHHZQKR-UHFFFAOYSA-O
CCOC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)NC(=O)CC[NH3+]
C18H21N4O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
325.4 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
325.16645093 g/mol
Property Name
Monoisotopic Mass
Property Value
325.16645093 g/mol
Property Name
Topological Polar Surface Area
Property Value
83.3 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
412
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
CONTENTS