CID 44780540
PubChem CID
44780540
Structure
Molecular Formula
Status
Non-live
Molecular Weight
446.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
[(2R)-1-benzoylpyrrolidin-2-yl]-[4-[(4-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone
InChI=1S/C27H34N4O2/c32-26(23-7-2-1-3-8-23)31-16-6-9-25(31)27(33)30-19-17-28(18-20-30)21-22-10-12-24(13-11-22)29-14-4-5-15-29/h1-3,7-8,10-13,25H,4-6,9,14-21H2/t25-/m1/s1
XFHLXBRBCQTGSB-RUZDIDTESA-N
C1CCN(C1)C2=CC=C(C=C2)CN3CCN(CC3)C(=O)[C@H]4CCCN4C(=O)C5=CC=CC=C5
C27H34N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
446.6 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
446.26817634 g/mol
Property Name
Monoisotopic Mass
Property Value
446.26817634 g/mol
Property Name
Topological Polar Surface Area
Property Value
47.1A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
657
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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