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119125-40-5 | 2,4(1H,3H)-Pyrimidinedione, 5-iodo-1,3-bis(phenylmethyl)-
CAS No: 119125-40-5 Catalog No: AG000I8O MDL No:
Product Description
Catalog Number:
AG000I8O
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-iodo-1,3-bis(phenylmethyl)-
CAS Number:
119125-40-5
Molecular Formula:
C18H15IN2O2
Molecular Weight:
418.2284
IUPAC Name:
1,3-dibenzyl-5-iodopyrimidine-2,4-dione
InChI:
InChI=1S/C18H15IN2O2/c19-16-13-20(11-14-7-3-1-4-8-14)18(23)21(17(16)22)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChI Key:
FPEITTIRQBXGLZ-UHFFFAOYSA-N
SMILES:
O=c1n(Cc2ccccc2)cc(c(=O)n1Cc1ccccc1)I
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.018g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.234g/mol
Monoisotopic Mass:
418.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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