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Methyl 5-[methyl(ethylsulfonyl)amino]-8-{[(4-methylphenyl)sulfonyl]oxy}-1,6-naphthyridine-7-carboxylate

HCID 59645226
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCS(=O)(=O)N(C)c1nc(C(=O)OC)c(OS(=O)(=O)c2ccc(C)cc2)c2ncccc12
InChIKey
RFFBFHFRWQHOHS-UHFFFAOYSA-N
Molecular formula
C20H21N3O7S2
Average molar mass
479.5 g/mol
Monoisotopic mass
479.08209236

Names & identifiers

Preferred name
Methyl 5-[methyl(ethylsulfonyl)amino]-8-{[(4-methylphenyl)sulfonyl]oxy}-1,6-naphthyridine-7-carboxylate
IUPAC
methyl 5-[ethylsulfonyl(methyl)amino]-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridine-7-carboxylate

Names & synonyms

SCHEMBL4762067RFFBFHFRWQHOHS-UHFFFAOYSA-NMethyl 5-[(ethylsulfonyl)(methyl)amino]-8-{[(4-methylphenyl)sulfonyl]oxy}-1,6-naphthyridine-7-carboxylatemethyl 5-[methyl(ethylsulfonyl)amino]-8-{[(4-methylphenyl)sulfonyl]oxy}-1,6-naphthyridine-7-carboxylate

Database identifiers

PubChem CID
59645226

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
150 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
861

Related reactions

4 records
New reaction record
HRID 942740 reaction equation
HRID 942740As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 959866 reaction equation
HRID 959866As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2252820 reaction equation
HRID 2252820As productuspto-grants-2008_01
HRID 2252821 reaction equation
HRID 2252821As reactantuspto-grants-2008_01

Compound notes

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