CID 38408949
PubChem CID
38408949
Structure
Molecular Formula
Status
Non-live
Molecular Weight
393.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone
InChI=1S/C23H23NO5/c1-26-21-12-16-10-11-24(14-17(16)13-22(21)27-2)23(25)20-9-8-19(29-20)15-28-18-6-4-3-5-7-18/h3-9,12-13H,10-11,14-15H2,1-2H3
ALBVOQUPMSISEQ-UHFFFAOYSA-N
COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(O3)COC4=CC=CC=C4)OC
C23H23NO5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
393.4 g/mol
Property Name
XLogP3-AA
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
393.15762283 g/mol
Property Name
Monoisotopic Mass
Property Value
393.15762283 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.1 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
537
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