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T0514-9595,,, :Molecular Weight455.46534 [g/mol]Molecular FormulaC25

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摘 要:T0514-9595,,, :Molecular Weight455.46534 [g/mol]Molecular FormulaC25H21N5O4XLogP3.1H-Bond Donor0H-Bond Acceptor5Rotatable Bond Count4Exact Mass455.159354MonoIsotopic Mass455.159354Topological Polar Surface Area94.1Heavy Atom Count34Formal Charge0Co
[Synonyms]
T0514-9595


Properties Computed from Structure:Molecular Weight455.46534 [g/mol]Molecular FormulaC25H21N5O4XLogP3.1H-Bond Donor0H-Bond Acceptor5Rotatable Bond Count4Exact Mass455.159354MonoIsotopic Mass455.159354Topological Polar Surface Area94.1Heavy Atom Count34Formal Charge0Complexity771Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:Canonical SMILES: CN1C(=O)C2=CC3=C(N=C2N(C1=O)CC4=CC=CC=C4)N(C(=O)N(C3=O)C)CC5=CC=CC=C5
InChI: InChI=1/C25H21N5O4/c1-27-22(31)18-13-19-21(26-20(18)29(24(27)33)14-16-9-
5-3-6-10-16)30(25(34)28(2)23(19)32)15-17-11-7-4-8-12-17/h3-13H,14-15H2,
1-2H3


Compound Info:CID: 2402077  Create Date: 2005-07-15

Similar Compounds: 17 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 9339889 - External ID: 2402077

Substance Vendors: 2 Links
   Ambinter ( 1 )
SID: 25125108 - External ID: T0514-9595
   ChemSpider ( 1 )
SID: 30604365 - External ID: 1793820

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 7551568 - External ID: 6605459

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2402077Molecular Weight455.46534 [g/mol]Molecular FormulaC25H21N5O4XLogP3.1H-Bond Donor0H-Bond Acceptor5  Links
Chemical Structure Search

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[Structure]
T0514-9595,,,   :Molecular Weight455.46534 [g/mol]Molecular FormulaC25

[ Properties Computed from Structure]
Molecular Weight455.46534 [g/mol]
Molecular FormulaC25H21N5O4
XLogP3.1
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count4
Exact Mass455.159354
MonoIsotopic Mass455.159354
Topological Polar Surface Area94.1
Heavy Atom Count34
Formal Charge0
Complexity771
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]

 
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