T0520-4713,,, :Molecular Weight472.45306 [g/mol]Molecular FormulaC23

[Synonyms]
T0520-4713


Properties Computed from Structure:Molecular Weight472.45306 [g/mol]Molecular FormulaC23H19Cl2N3S2XLogP6H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count6Tautomer Count4Exact Mass471.039744MonoIsotopic Mass471.039744Topological Polar Surface Area37.8Heavy Atom Count30Formal Charge0Complexity563Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:Canonical SMILES: C1CC2=C(C1)SC3=NC(=NC(=C23)NCC4=CC(=CC=C4)Cl)CSC5=CC=C(C=C5)Cl
InChI: InChI=1/C23H19Cl2N3S2/c24-15-7-9-17(10-8-15)29-13-20-27-22(26-12-14-3-1-
4-16(25)11-14)21-18-5-2-6-19(18)30-23(21)28-20/h1,3-4,7-11H,2,5-6,
12-13H2,(H,26,27,28)/f/h26H


Compound Info:CID: 2406428  Create Date: 2005-07-15

Similar Compounds: 67 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 9341671 - External ID: 2406428

Substance Vendors: 2 Links
   Ambinter ( 1 )
SID: 25221757 - External ID: T0520-4713
   ChemSpider ( 1 )
SID: 30607484 - External ID: 1796939

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 7609323 - External ID: 5458100

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2406428Molecular Weight472.45306 [g/mol]Molecular FormulaC23H19Cl2N3S2XLogP6H-Bond Donor1H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]

[ Properties Computed from Structure]

[ Descriptors Computed from Structure]