8-(3-Bromo-4-fluorophenyl)-11,11-dimethyl-5,12-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione

HCID 10272827

Notes Reactions

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Basic information

Standard SMILES: CC1(C)OCC2=C(C1=O)C(c1ccc(F)c(Br)c1)C1=C(COC1=O)N2
InChIKey: AYEGUPVRBBVNJK-UHFFFAOYSA-N
Molecular formula: C18H15BrFNO4
Average molar mass: 408.2 g/mol

Names & identifiers

Preferred name: 8-(3-Bromo-4-fluorophenyl)-11,11-dimethyl-5,12-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione
IUPAC: 8-(3-bromo-4-fluorophenyl)-11,11-dimethyl-5,12-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione

Names & synonyms

CHEMBL386582SCHEMBL7150377AYEGUPVRBBVNJK-UHFFFAOYSA-NBDBM504759779-(3-bromo-4-fluorophenyl)-7,7-dimethyl-5,9-dihydro-3H-furo[3,4-b]pyrano[4,3-e]pyridine-1,8(4H,7H)-dione

Database identifiers

PubChem CID: 10272827
ChEMBL: CHEMBL386582

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 25
Formal charge: 0
Complexity: 714

Related reactions

1 records

New reaction record

HRID 478311As productuspto-grants-2003_11

Compound notes

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