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CID 38993687

PubChem CID
38993687
Structure
CID 38993687_small.png
Molecular Formula
Status
Non-live
Molecular Weight
435.5 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 38993687.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2.1.2 InChI

InChI=1S/C23H25N5O4/c1-22(2,3)16-13-18(28(26-16)15-9-6-5-7-10-15)24-19(29)14-27-20(30)23(4,25-21(27)31)17-11-8-12-32-17/h5-13H,14H2,1-4H3,(H,24,29)(H,25,31)/t23-/m0/s1

2.1.3 InChIKey

DJEDPJZTOXNPOF-QHCPKHFHSA-N

2.1.4 SMILES

C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C)C4=CC=CO4

2.2 Molecular Formula

C23H25N5O4

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
435.5 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
435.19065430 g/mol
Property Name
Monoisotopic Mass
Property Value
435.19065430 g/mol
Property Name
Topological Polar Surface Area
Property Value
109 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
747
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

5 Information Sources

CONTENTS