CID 23647176
PubChem CID
23647176
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
475.7 g/mol
Dates
- Create:2008-01-19
Chemical Structure Depiction
(4Z)-4-[4-(3-chlorophenyl)-1,2-dihydropyrazol-3-ylidene]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]pyrrole-2-carboxamide
InChI=1S/C22H17Cl3N4O2/c23-15-3-1-2-12(4-15)18-10-27-29-21(18)14-7-19(26-9-14)22(31)28-20(11-30)13-5-16(24)8-17(25)6-13/h1-10,20,27,29-30H,11H2,(H,28,31)/b21-14-
QZSAQJUZOWCMCB-STZFKDTASA-N
C1=CC(=CC(=C1)Cl)C\2=CNN/C2=C\3/C=C(N=C3)C(=O)NC(CO)C4=CC(=CC(=C4)Cl)Cl
C22H17Cl3N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
475.7 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
474.041709 g/mol
Property Name
Monoisotopic Mass
Property Value
474.041709 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.8 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
816
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
1
Property Name
Defined Bond Stereocenter Count
Property Value
1
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