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13256-75-2 | Urea, N-(4-methylphenyl)-N'-2-pyridinyl-
CAS No: 13256-75-2 Catalog No: AG0010U5 MDL No:
Product Description
Catalog Number:
AG0010U5
Chemical Name:
Urea, N-(4-methylphenyl)-N'-2-pyridinyl-
CAS Number:
13256-75-2
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
IUPAC Name:
1-(4-methylphenyl)-3-pyridin-2-ylurea
InChI:
InChI=1S/C13H13N3O/c1-10-5-7-11(8-6-10)15-13(17)16-12-4-2-3-9-14-12/h2-9H,1H3,(H2,14,15,16,17)
InChI Key:
COFCQAJEVHDIQN-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccn1)Nc1ccc(cc1)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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