CID 44770058
PubChem CID
44770058
Structure
Molecular Formula
Status
Non-live
Molecular Weight
426.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-benzyl-3-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)benzamide
InChI=1S/C28H30N2O2/c1-30-16-14-28(15-17-30)13-12-24-18-23(10-11-26(24)32-28)22-8-5-9-25(19-22)27(31)29-20-21-6-3-2-4-7-21/h2-11,18-19H,12-17,20H2,1H3,(H,29,31)
QLYQMMHLACZUMI-UHFFFAOYSA-N
CN1CCC2(CCC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C(=O)NCC5=CC=CC=C5)CC1
C28H30N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
426.5 g/mol
Property Name
XLogP3-AA
Property Value
5.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
426.230728204 g/mol
Property Name
Monoisotopic Mass
Property Value
426.230728204 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.6 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
623
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