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2000-55-7 | Urea, N-phenyl-N'-3-pyridinyl-
CAS No: 2000-55-7 Catalog No: AG002CI4 MDL No:
Product Description
Catalog Number:
AG002CI4
Chemical Name:
Urea, N-phenyl-N'-3-pyridinyl-
CAS Number:
2000-55-7
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
IUPAC Name:
1-phenyl-3-pyridin-3-ylurea
InChI:
InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
InChI Key:
WBKYYDBHEGTTON-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccnc1)Nc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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