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Home > Nitro Compounds > 88820-13-7
88820-13-7 | Benzamide, N-[(1,3-dibenzoylhexahydro-5-nitro-5-pyrimidinyl)methyl]-
CAS No: 88820-13-7 Catalog No: AG004ACK MDL No:
Product Description
Catalog Number:
AG004ACK
Chemical Name:
Benzamide, N-[(1,3-dibenzoylhexahydro-5-nitro-5-pyrimidinyl)methyl]-
CAS Number:
88820-13-7
Molecular Formula:
C26H24N4O5
Molecular Weight:
472.4926
IUPAC Name:
N-[(1,3-dibenzoyl-5-nitro-1,3-diazinan-5-yl)methyl]benzamide
InChI:
InChI=1S/C26H24N4O5/c31-23(20-10-4-1-5-11-20)27-16-26(30(34)35)17-28(24(32)21-12-6-2-7-13-21)19-29(18-26)25(33)22-14-8-3-9-15-22/h1-15H,16-19H2,(H,27,31)
InChI Key:
XIYZCPNYDNYQDE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCC1(CN(CN(C1)C(=O)c1ccccc1)C(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.175g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
472.501g/mol
Monoisotopic Mass:
472.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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