CID 44770332
PubChem CID
44770332
Structure
Molecular Formula
Status
Non-live
Molecular Weight
386.8 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
1'-(6-chloropyridine-3-carbonyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
InChI=1S/C20H19ClN2O4/c1-26-14-3-4-15-16(24)11-20(27-17(15)10-14)6-8-23(9-7-20)19(25)13-2-5-18(21)22-12-13/h2-5,10,12H,6-9,11H2,1H3
ILSOMSBCFYUNDY-UHFFFAOYSA-N
COC1=CC2=C(C=C1)C(=O)CC3(O2)CCN(CC3)C(=O)C4=CN=C(C=C4)Cl
C20H19ClN2O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
386.8 g/mol
Property Name
XLogP3-AA
Property Value
2.8
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
2
Property Name
Exact Mass
Property Value
386.1033348 g/mol
Property Name
Monoisotopic Mass
Property Value
386.1033348 g/mol
Property Name
Topological Polar Surface Area
Property Value
68.7 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
578
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