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389826-91-9 | 1H-1,2,4-Triazole, 1-[phenyl(5-phenyl-4-isoxazolyl)methyl]-
CAS No: 389826-91-9 Catalog No: AG00772O MDL No:
Product Description
Catalog Number:
AG00772O
Chemical Name:
1H-1,2,4-Triazole, 1-[phenyl(5-phenyl-4-isoxazolyl)methyl]-
CAS Number:
389826-91-9
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
5-phenyl-4-[phenyl(1,2,4-triazol-1-yl)methyl]-1,2-oxazole
InChI:
InChI=1S/C18H14N4O/c1-3-7-14(8-4-1)17(22-13-19-12-20-22)16-11-21-23-18(16)15-9-5-2-6-10-15/h1-13,17H
InChI Key:
DWKXFDRHBJUHGL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1oncc1C(n1ncnc1)c1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of azole derivatives, analogues of bifonazole, with a phenylisoxazolyl or phenylpyrimidinyl moiety. | Farmaco (Societa chimica italiana : 1989) 20010901 |
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