CID 44770676
PubChem CID
44770676
Structure
Molecular Formula
Status
Non-live
Molecular Weight
413.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
6-methyl-1'-[(3-phenoxyphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
InChI=1S/C27H27NO3/c1-20-10-11-26-24(16-20)25(29)18-27(31-26)12-14-28(15-13-27)19-21-6-5-9-23(17-21)30-22-7-3-2-4-8-22/h2-11,16-17H,12-15,18-19H2,1H3
NLFDQQSDWFMSDQ-UHFFFAOYSA-N
CC1=CC2=C(C=C1)OC3(CCN(CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5)CC2=O
C27H27NO3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
413.5 g/mol
Property Name
XLogP3-AA
Property Value
5.2
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
413.19909372 g/mol
Property Name
Monoisotopic Mass
Property Value
413.19909372 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.8 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
608
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