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10270-09-4

10270-09-4 | 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-4-phenyl-

CAS No: 10270-09-4 Catalog No: AG00086E MDL No:

Product Description

Catalog Number:
AG00086E
Chemical Name:
1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-4-phenyl-
CAS Number:
10270-09-4
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
1,2-dimethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
InChI:
InChI=1S/C10H11N3O2/c1-11-9(14)13(10(15)12(11)2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
PCBZEWNZJVJTIO-UHFFFAOYSA-N
SMILES:
O=c1n(c2ccccc2)c(=O)n(n1C)C

Properties

Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. Journal of medicinal chemistry 20051117

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