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871110-29-1 | 1H-Pyrazole,4-ethyl-5-(4-methoxyphenyl)-3-(methylthio)-1-phenyl-
CAS No: 871110-29-1 Catalog No: AG004P72 MDL No:
Product Description
Catalog Number:
AG004P72
Chemical Name:
1H-Pyrazole,4-ethyl-5-(4-methoxyphenyl)-3-(methylthio)-1-phenyl-
CAS Number:
871110-29-1
Molecular Formula:
C19H20N2OS
Molecular Weight:
324.4399
IUPAC Name:
4-ethyl-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazole
InChI:
InChI=1S/C19H20N2OS/c1-4-17-18(14-10-12-16(22-2)13-11-14)21(20-19(17)23-3)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChI Key:
LUVZABOMBNVKTM-UHFFFAOYSA-N
SMILES:
CCc1c(SC)nn(c1c1ccc(cc1)OC)c1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.442g/mol
Monoisotopic Mass:
324.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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