CID 44769808
PubChem CID
44769808
Structure
Molecular Formula
Status
Non-live
Molecular Weight
393.4 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
1'-(4-acetylbenzoyl)-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
InChI=1S/C23H23NO5/c1-15(25)16-3-5-17(6-4-16)22(27)24-11-9-23(10-12-24)14-20(26)19-13-18(28-2)7-8-21(19)29-23/h3-8,13H,9-12,14H2,1-2H3
CXWXVQQUXPHXQS-UHFFFAOYSA-N
CC(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)CC(=O)C4=C(O3)C=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
2.6
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
3
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
72.9 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
646
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