Ethyl 4-[2-[(4-Ethoxyphenyl)amino]-2-oxoethoxy]-1,6-dihydro-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic Acid Ester - CAS 899729-77-2
Catalog: |
BB065726 |
Product Name: |
Ethyl 4-[2-[(4-Ethoxyphenyl)amino]-2-oxoethoxy]-1,6-dihydro-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic Acid Ester |
CAS: |
899729-77-2 |
Synonyms: |
ethyl 4-(2-((4-ethoxyphenyl)amino)-2-oxoethoxy)-6-oxo-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate; ethyl 4-{[(4-ethoxyphenyl)carbamoyl]methoxy}-1-(4-methylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate; ethyl 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate; ethyl4-(2-((4-ethoxyphenyl)amino)-2-oxoethoxy)-6-oxo-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate |
IUPAC Name: | ethyl 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate |
Molecular Weight: | 451.47 |
Molecular Formula: | C24H25N3O6 |
Canonical SMILES: | CCOC1=CC=C(C=C1)NC(=O)COC2=CC(=O)N(N=C2C(=O)OCC)C3=CC=C(C=C3)C |
InChI: | InChI=1S/C24H25N3O6/c1-4-31-19-12-8-17(9-13-19)25-21(28)15-33-20-14-22(29)27(18-10-6-16(3)7-11-18)26-23(20)24(30)32-5-2/h6-14H,4-5,15H2,1-3H3,(H,25,28) |
InChI Key: | QCCFMEHUMUMRHR-UHFFFAOYSA-N |
Complexity: | 764 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 451.17433553 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 451.17433553 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 107Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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