200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 27402-32-0
27402-32-0 | 5-(3-nitrobenzylidene)hexahydropyrimidine-2,4,6-trione
CAS No: 27402-32-0 Catalog No: AG01CAM8 MDL No:MFCD00117981
Product Description
Catalog Number:
AG01CAM8
Chemical Name:
5-(3-nitrobenzylidene)hexahydropyrimidine-2,4,6-trione
CAS Number:
27402-32-0
Molecular Formula:
C11H7N3O5
Molecular Weight:
261.1904
MDL Number:
MFCD00117981
IUPAC Name:
5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C11H7N3O5/c15-9-8(10(16)13-11(17)12-9)5-6-2-1-3-7(4-6)14(18)19/h1-5H,(H2,12,13,15,16,17)
InChI Key:
BRGHLSCNAIQJPE-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2cccc(c2)[N+](=O)[O-])C(=O)N1
NSC Number:
95882
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.193g/mol
Monoisotopic Mass:
261.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis of barbiturate-based methionine aminopeptidase-1 inhibitors. | Bioorganic & medicinal chemistry letters 20080401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.