methyl 2-(1-{2-[(methylsulfonyl)oxy]ethyl}-1H-imidazol-4-yl)pyridine-4-carboxylate

HCID 90407071
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Basic information

Standard SMILES
COC(=O)c1ccnc(-c2cn(CCOS(C)(=O)=O)cn2)c1
InChIKey
BMTXJJVXXUHJQZ-UHFFFAOYSA-N
Molecular formula
C13H15N3O5S
Average molar mass
325.34 g/mol
Monoisotopic mass
325.07324176

Names & identifiers

Preferred name
methyl 2-(1-{2-[(methylsulfonyl)oxy]ethyl}-1H-imidazol-4-yl)pyridine-4-carboxylate
IUPAC
methyl 2-[1-(2-methylsulfonyloxyethyl)imidazol-4-yl]pyridine-4-carboxylate

Names & synonyms

SCHEMBL16033441BMTXJJVXXUHJQZ-UHFFFAOYSA-Nmethyl 2-(1-{2-[(methylsulfonyl)oxy]ethyl}-1H-imidazol-4-yl)pyridine-4-carboxylate

Database identifiers

PubChem CID
90407071

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
109 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
22

Related reactions

30 records
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Linked notes

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