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ZINC03003912,,, :Molecular Weight302.41124 [g/mol]Molecular FormulaC

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摘 要:ZINC03003912,,, :Molecular Weight302.41124 [g/mol]Molecular FormulaC18H26N2O2XLogP3.8H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count8Exact Mass302.199428MonoIsotopic Mass302.199428Topological Polar Surface Area36.3Heavy Atom Count22Formal Charge0
[Synonyms]
ZINC03003912


Properties Computed from Structure:Molecular Weight302.41124 [g/mol]Molecular FormulaC18H26N2O2XLogP3.8H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count8Exact Mass302.199428MonoIsotopic Mass302.199428Topological Polar Surface Area36.3Heavy Atom Count22Formal Charge0Complexity317Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 1-[2-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]ethyl]imidazole
Canonical SMILES: CC1=CC(=C(C=C1)C(C)(C)C)OCCOCCN2C=CN=C2
InChI: InChI=1/C18H26N2O2/c1-15-5-6-16(18(2,
3)4)17(13-15)22-12-11-21-10-9-20-8-7-19-14-20/h5-8,13-14H,9-12H2,1-4H3


Compound Info:CID: 2924045  Create Date: 2005-07-29

Similar Compounds: 92 Links


Substance Info:Substances: 5 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 8924700 - External ID: 2924045

Substance Vendors: 3 Links
   ChemBridge ( 1 )
SID: 3537940 - External ID: 7017461
   ChemSpider ( 1 )
SID: 34492185 - External ID: 2197553
   ZINC ( 1 )
SID: 2712882 - External ID: ZINC03003912

Theoretical Properties: 2 Links
   ChemDB ( 1 )
SID: 4585517 - External ID: 4414562
   ZINC ( 1 )
SID: 2712882 - External ID: ZINC03003912

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2924045Molecular Weight302.41124 [g/mol]Molecular FormulaC18H26N2O2XLogP3.8H-Bond Donor0H-Bond Acceptor4  Links
Chemical Structure Search

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[Structure]
ZINC03003912,,,   :Molecular Weight302.41124 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight302.41124 [g/mol]
Molecular FormulaC18H26N2O2
XLogP3.8
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count8
Exact Mass302.199428
MonoIsotopic Mass302.199428
Topological Polar Surface Area36.3
Heavy Atom Count22
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-[2-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]ethyl]imidazole
Canonical SMILES: CC1=CC(=C(C=C1)C(C)(C)C)OCCOCCN2C=CN=C2
InChI: InChI=1/C18H26N2O2/c1-15-5-6-16(18(2,
3)4)17(13-15)22-12-11-21-10-9-20-8-7-19-14-20/h5-8,13-14H,9-12H2,1-4H3

 
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