CID 46110728
PubChem CID
46110728
Structure
Molecular Formula
Status
Non-live
Molecular Weight
480.6 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
[4-benzoyl-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
InChI=1S/C26H32N4O5/c1-27(2)20-10-13-29(17-20)24(32)21-18-35-26(30(21)23(31)19-7-4-3-5-8-19)11-14-28(15-12-26)25(33)22-9-6-16-34-22/h3-9,16,20-21H,10-15,17-18H2,1-2H3
XUQUSAGLXHKDCA-UHFFFAOYSA-N
CN(C)C1CCN(C1)C(=O)C2COC3(N2C(=O)C4=CC=CC=C4)CCN(CC3)C(=O)C5=CC=CO5
C26H32N4O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
480.6 g/mol
Property Name
XLogP3-AA
Property Value
1.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
480.23727013 g/mol
Property Name
Monoisotopic Mass
Property Value
480.23727013 g/mol
Property Name
Topological Polar Surface Area
Property Value
86.5 A^2
Property Name
Heavy Atom Count
Property Value
35
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
806
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
Old substance
Old substance
Old substance
CONTENTS