Carbonic acid 3-(5-bromo-3-fluoro-2-methyl-phenyl)-8-methoxy-2-oxo-1,8-diaza-spiro[4.5]dec-3-en-4-yl ester ethyl ester

HCID 59614596

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)OC1=C(c2cc(Br)cc(F)c2C)C(=O)NC12CCN(OC)CC2
InChIKey: BBKALPVBLFAZNW-UHFFFAOYSA-N
Molecular formula: C19H22BrFN2O5
Average molar mass: 457.3 g/mol

Names & identifiers

Preferred name: Carbonic acid 3-(5-bromo-3-fluoro-2-methyl-phenyl)-8-methoxy-2-oxo-1,8-diaza-spiro[4.5]dec-3-en-4-yl ester ethyl ester
IUPAC: [3-(5-bromo-3-fluoro-2-methylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

Names & synonyms

SCHEMBL3651208BBKALPVBLFAZNW-UHFFFAOYSA-NCarbonic acid 3-(5-bromo-3-fluoro-2-methyl-phenyl)-8-methoxy-2-oxo-1,8-diaza-spiro[4.5]dec-3-en-4-yl ester ethyl ester

Database identifiers

PubChem CID: 59614596

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 77.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 650

Related reactions

2 records

New reaction record

HRID 1234745As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1962383As productuspto-grants-2013_04

Compound notes

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