CID 44771016
PubChem CID
44771016
Structure
Molecular Formula
Status
Non-live
Molecular Weight
440.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[(3-methylphenyl)methyl]-3-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)benzamide
InChI=1S/C29H32N2O2/c1-21-5-3-6-22(17-21)20-30-28(32)26-8-4-7-23(19-26)24-9-10-27-25(18-24)11-12-29(33-27)13-15-31(2)16-14-29/h3-10,17-19H,11-16,20H2,1-2H3,(H,30,32)
XEUHHRPBUUDPPO-UHFFFAOYSA-N
CC1=CC(=CC=C1)CNC(=O)C2=CC=CC(=C2)C3=CC4=C(C=C3)OC5(CC4)CCN(CC5)C
C29H32N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
440.6 g/mol
Property Name
XLogP3-AA
Property Value
5.5
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
440.246378268 g/mol
Property Name
Monoisotopic Mass
Property Value
440.246378268 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.6 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
658
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