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35017-43-7 | 1-phenyl-3-[(pyridin-4-yl)methyl]urea
CAS No: 35017-43-7 Catalog No: AG00ITKN MDL No:MFCD00088631
Product Description
Catalog Number:
AG00ITKN
Chemical Name:
1-phenyl-3-[(pyridin-4-yl)methyl]urea
CAS Number:
35017-43-7
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
MDL Number:
MFCD00088631
IUPAC Name:
1-phenyl-3-(pyridin-4-ylmethyl)urea
InChI:
InChI=1S/C13H13N3O/c17-13(16-12-4-2-1-3-5-12)15-10-11-6-8-14-9-7-11/h1-9H,10H2,(H2,15,16,17)
InChI Key:
JNBHWDRNHXYUJA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)NCc1ccncc1
NSC Number:
204135
Properties
Complexity:
233
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:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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