CID 46042019
PubChem CID
46042019
Structure
Molecular Formula
Status
Non-live
Molecular Weight
447.4 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridin-3-yl]cyclopentanecarboxamide
InChI=1S/C22H24Cl2N4O2/c23-16-5-7-18(19(24)13-16)22(30)28-11-9-27(10-12-28)20-8-6-17(14-25-20)26-21(29)15-3-1-2-4-15/h5-8,13-15H,1-4,9-12H2,(H,26,29)
MTNQDHAQNZDIJW-UHFFFAOYSA-N
C1CCC(C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)Cl
C22H24Cl2N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
447.4 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
446.1276314 g/mol
Property Name
Monoisotopic Mass
Property Value
446.1276314 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.5 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
608
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
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CONTENTS