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145865-73-2 | 1H-Pyrazole-4-carboxylic acid, 3-[[2-[(4-methoxyphenyl)methylene]hydrazinyl]sulfonyl]-1-methyl-, ethyl ester
CAS No: 145865-73-2 Catalog No: AG001DHC MDL No:
Product Description
Catalog Number:
AG001DHC
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-[[2-[(4-methoxyphenyl)methylene]hydrazinyl]sulfonyl]-1-methyl-, ethyl ester
CAS Number:
145865-73-2
Molecular Formula:
C15H18N4O5S
Molecular Weight:
366.3922
IUPAC Name:
ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C15H18N4O5S/c1-4-24-15(20)13-10-19(2)17-14(13)25(21,22)18-16-9-11-5-7-12(23-3)8-6-11/h5-10,18H,4H2,1-3H3
InChI Key:
OUEWYSUXQHMKOK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(nc1S(=O)(=O)NN=Cc1ccc(cc1)OC)C
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.1g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.392g/mol
Monoisotopic Mass:
366.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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