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35466-43-4 | 3-(4-Methylpyridin-2-yl)-1-phenylurea
CAS No: 35466-43-4 Catalog No: AG01EVOA MDL No:MFCD00579617
Product Description
Catalog Number:
AG01EVOA
Chemical Name:
3-(4-Methylpyridin-2-yl)-1-phenylurea
CAS Number:
35466-43-4
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
MDL Number:
MFCD00579617
IUPAC Name:
1-(4-methylpyridin-2-yl)-3-phenylurea
InChI:
InChI=1S/C13H13N3O/c1-10-7-8-14-12(9-10)16-13(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,15,16,17)
InChI Key:
GWDWFQFGUPNAER-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccc(c1)C)Nc1ccccc1
Properties
Complexity:
251
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:
2.1
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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