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Home > Nitro Compounds > 332945-53-6
332945-53-6 | N-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CAS No: 332945-53-6 Catalog No: AG00I6I2 MDL No:MFCD01478614
Product Description
Catalog Number:
AG00I6I2
Chemical Name:
N-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CAS Number:
332945-53-6
Molecular Formula:
C18H20N4O4
Molecular Weight:
356.3758
MDL Number:
MFCD01478614
IUPAC Name:
N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
InChI:
InChI=1S/C18H20N4O4/c1-26-17-8-2-14(3-9-17)19-18(23)21-12-10-20(11-13-21)15-4-6-16(7-5-15)22(24)25/h2-9H,10-13H2,1H3,(H,19,23)
InChI Key:
BTOUAEVJKDGETI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.148g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.382g/mol
Monoisotopic Mass:
356.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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