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Home > Nitro Compounds > 477858-86-9
477858-86-9 | 1-cyclohexanecarbonyl-4-(4-nitrobenzoyl)piperazine
CAS No: 477858-86-9 Catalog No: AG00IPVD MDL No:MFCD00830634
Product Description
Catalog Number:
AG00IPVD
Chemical Name:
1-cyclohexanecarbonyl-4-(4-nitrobenzoyl)piperazine
CAS Number:
477858-86-9
Molecular Formula:
C18H23N3O4
Molecular Weight:
345.3929
MDL Number:
MFCD00830634
IUPAC Name:
cyclohexyl-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone
InChI:
InChI=1S/C18H23N3O4/c22-17(14-4-2-1-3-5-14)19-10-12-20(13-11-19)18(23)15-6-8-16(9-7-15)21(24)25/h6-9,14H,1-5,10-13H2
InChI Key:
YRTAKZRBMAHQOQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)C1CCCCC1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.399g/mol
Monoisotopic Mass:
345.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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