CID 45071075
PubChem CID
45071075
Structure
Molecular Formula
Status
Non-live
Molecular Weight
452.6 g/mol
Dates
- Create:2010-03-29
Chemical Structure Depiction
(8-benzyl-1,6-dimethyl-3,8-diazabicyclo[4.3.1]decan-3-yl)-(3,4,5-trimethoxyphenyl)methanone
InChI=1S/C27H36N2O4/c1-26-11-12-29(25(30)21-13-22(31-3)24(33-5)23(14-21)32-4)19-27(2,16-26)18-28(17-26)15-20-9-7-6-8-10-20/h6-10,13-14H,11-12,15-19H2,1-5H3
NFOZFCYQUYGPQU-UHFFFAOYSA-N
CC12CCN(CC(C1)(CN(C2)CC3=CC=CC=C3)C)C(=O)C4=CC(=C(C(=C4)OC)OC)OC
C27H36N2O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
452.6 g/mol
Property Name
XLogP3-AA
Property Value
4.4
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
6
Property Name
Exact Mass
Property Value
452.26750763 g/mol
Property Name
Monoisotopic Mass
Property Value
452.26750763 g/mol
Property Name
Topological Polar Surface Area
Property Value
51.2 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
655
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
2
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