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14599-52-1 | 1,4-Benzenedicarboxamide, N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitro-
CAS No: 14599-52-1 Catalog No: AG001DLH MDL No:
Product Description
Catalog Number:
AG001DLH
Chemical Name:
1,4-Benzenedicarboxamide, N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitro-
CAS Number:
14599-52-1
Molecular Formula:
C26H23N7O4
Molecular Weight:
497.5053
IUPAC Name:
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide
InChI:
InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H,27,28)(H,29,30)(H,31,34)(H,32,35)
InChI Key:
WQZYYJRVBIQUGH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)C1=NCCN1)Nc1ccc(cc1)C1=NCCN1
UNII:
8M49S9380J
NSC Number:
60340
Properties
Complexity:
916
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.181g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
497.515g/mol
Monoisotopic Mass:
497.181g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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