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Home > Pyridines > 115542-00-2
115542-00-2 | Urea, N-(3-hydroxy-2-pyridinyl)-N'-phenyl-
CAS No: 115542-00-2 Catalog No: AG000G4I MDL No:
Product Description
Catalog Number:
AG000G4I
Chemical Name:
Urea, N-(3-hydroxy-2-pyridinyl)-N'-phenyl-
CAS Number:
115542-00-2
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
1-(3-hydroxypyridin-2-yl)-3-phenylurea
InChI:
InChI=1S/C12H11N3O2/c16-10-7-4-8-13-11(10)15-12(17)14-9-5-2-1-3-6-9/h1-8,16H,(H2,13,14,15,17)
InChI Key:
MUTZXOUXSQXRGW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ncccc1O)Nc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Structure-based design, synthesis, and biological evaluation of novel inhibitors of human cyclophilin A. | Journal of medicinal chemistry 20060209 |
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