200,000+ products from a single source!
sales@angenechem.com
85409-55-8 | ETHYL 4-[[5-[[2-(ACETOXY)ETHYL]SULFONYL]-2-METHOXYPHENYL]AZO]-4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLATE
CAS No: 85409-55-8 Catalog No: AG004OF7 MDL No:
Product Description
Catalog Number:
AG004OF7
Chemical Name:
ETHYL 4-[[5-[[2-(ACETOXY)ETHYL]SULFONYL]-2-METHOXYPHENYL]AZO]-4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLATE
CAS Number:
85409-55-8
Molecular Formula:
C23H24N4O8S
Molecular Weight:
516.5237
IUPAC Name:
ethyl 4-[[5-(2-acetyloxyethylsulfonyl)-2-methoxyphenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
InChI:
InChI=1S/C23H24N4O8S/c1-4-34-23(30)21-20(22(29)27(26-21)16-8-6-5-7-9-16)25-24-18-14-17(10-11-19(18)33-3)36(31,32)13-12-35-15(2)28/h5-11,14,20H,4,12-13H2,1-3H3
InChI Key:
SUNYAGHCOLNIAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=NN(C(=O)C1N=Nc1cc(ccc1OC)S(=O)(=O)CCOC(=O)C)c1ccccc1
EC Number:
287-125-6
Properties
Complexity:
971
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.131g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.525g/mol
Monoisotopic Mass:
516.131g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.