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313685-85-7 | 5-Bromo-furan-2-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide
CAS No: 313685-85-7 Catalog No: AG01F2VI MDL No:
Product Description
Catalog Number:
AG01F2VI
Chemical Name:
5-Bromo-furan-2-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide
CAS Number:
313685-85-7
Molecular Formula:
C16H14BrN3O3
Molecular Weight:
376.2047
IUPAC Name:
5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)furan-2-carboxamide
InChI:
InChI=1S/C16H14BrN3O3/c1-10-14(18-15(21)12-8-9-13(17)23-12)16(22)20(19(10)2)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,21)
InChI Key:
FHOSBLZTBVMDHY-UHFFFAOYSA-N
SMILES:
Brc1ccc(o1)C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.022g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.21g/mol
Monoisotopic Mass:
375.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| 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 |
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