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1461-17-2 | 3H-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-
CAS No: 1461-17-2 Catalog No: AG001DOX MDL No:
Product Description
Catalog Number:
AG001DOX
Chemical Name:
3H-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-
CAS Number:
1461-17-2
Molecular Formula:
C26H30N4O2
Molecular Weight:
430.5420
IUPAC Name:
4-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butyl]-1,5-dimethyl-2-phenylpyrazol-3-one
InChI:
InChI=1S/C26H30N4O2/c1-6-13-22(23-18(2)27(4)29(25(23)31)20-14-9-7-10-15-20)24-19(3)28(5)30(26(24)32)21-16-11-8-12-17-21/h7-12,14-17,22H,6,13H2,1-5H3
InChI Key:
HDWBDLKIQZBFBD-UHFFFAOYSA-N
SMILES:
CCCC(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)C
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.237g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.552g/mol
Monoisotopic Mass:
430.237g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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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