CID 44770746
PubChem CID
44770746
Structure
Molecular Formula
Status
Non-live
Molecular Weight
403.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-(3-cyanophenyl)-2-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide
InChI=1S/C24H25N3O3/c1-16-10-20-21(28)13-24(30-22(20)11-17(16)2)6-8-27(9-7-24)15-23(29)26-19-5-3-4-18(12-19)14-25/h3-5,10-12H,6-9,13,15H2,1-2H3,(H,26,29)
LWAULGHUTXKCII-UHFFFAOYSA-N
CC1=CC2=C(C=C1C)OC3(CCN(CC3)CC(=O)NC4=CC=CC(=C4)C#N)CC2=O
C24H25N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
403.5 g/mol
Property Name
XLogP3-AA
Property Value
3.1
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
403.18959167 g/mol
Property Name
Monoisotopic Mass
Property Value
403.18959167 g/mol
Property Name
Topological Polar Surface Area
Property Value
82.4 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
706
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