CAS 3040-97-9 | 2,4-Imidazolidinedione, 3,3'-methylenebis[5,5-dimethyl- | CAS Number 3040-97-9

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3040-97-9 | 2,4-Imidazolidinedione, 3,3'-methylenebis[5,5-dimethyl-

CAS No: 3040-97-9 Catalog No: AG00300S MDL No:

Product Description

Catalog Number:

AG00300S

Chemical Name:

2,4-Imidazolidinedione, 3,3'-methylenebis[5,5-dimethyl-

CAS Number:

3040-97-9

Molecular Formula:

C11H16N4O4

Molecular Weight:

268.2691

IUPAC Name:

3-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione

InChI:

InChI=1S/C11H16N4O4/c1-10(2)6(16)14(8(18)12-10)5-15-7(17)11(3,4)13-9(15)19/h5H2,1-4H3,(H,12,18)(H,13,19)

InChI Key:

OJJXFRXEHGWPFW-UHFFFAOYSA-N

SMILES:

O=C1NC(C(=O)N1CN1C(=O)NC(C1=O)(C)C)(C)C

NSC Number:

17576

Properties

Complexity:

453

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.117g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.273g/mol

Monoisotopic Mass:

268.117g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501