CID 51853155
PubChem CID
51853155
Structure
Molecular Formula
Status
Non-live
Molecular Weight
393.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
[(8aR)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
InChI=1S/C22H24N4O3/c1-14-20-18(22(27)26-11-10-25-9-3-4-16(25)13-26)12-19(23-21(20)29-24-14)15-5-7-17(28-2)8-6-15/h5-8,12,16H,3-4,9-11,13H2,1-2H3/p+1/t16-/m1/s1
QHVAZSRHWPSRTA-MRXNPFEDSA-O
CC1=NOC2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)N4CC[NH+]5CCC[C@@H]5C4
C22H25N4O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
393.5 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
393.19266567 g/mol
Property Name
Monoisotopic Mass
Property Value
393.19266567 g/mol
Property Name
Topological Polar Surface Area
Property Value
72.9 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
597
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