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Home > Nitro Compounds > 18592-26-2
18592-26-2 | 2,4(1H,3H)-Pyrimidinedione,5-nitro-1,3-bis(phenylmethyl)-
CAS No: 18592-26-2 Catalog No: AG007SSD MDL No:
Product Description
Catalog Number:
AG007SSD
Chemical Name:
2,4(1H,3H)-Pyrimidinedione,5-nitro-1,3-bis(phenylmethyl)-
CAS Number:
18592-26-2
Molecular Formula:
C18H15N3O4
Molecular Weight:
337.3294
IUPAC Name:
1,3-dibenzyl-5-nitropyrimidine-2,4-dione
InChI:
InChI=1S/C18H15N3O4/c22-17-16(21(24)25)13-19(11-14-7-3-1-4-8-14)18(23)20(17)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChI Key:
JFHNAZJXOIUTSJ-UHFFFAOYSA-N
SMILES:
O=c1n(Cc2ccccc2)cc(c(=O)n1Cc1ccccc1)[N+](=O)[O-]
NSC Number:
86750
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.335g/mol
Monoisotopic Mass:
337.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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