1-[3-(3-Bromo-5-methoxy-xanthen-9-ylidene)-8-aza-bicyclo[3.2.1]oct-8-yl]-2,2,2-trifluoro-ethanone

HCID 57725349
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Basic information

Standard SMILES
COc1cccc2c1Oc1cc(Br)ccc1C2=C1CC2CCC(C1)N2C(=O)C(F)(F)F
InChIKey
LXGNDMMKVZSERK-UHFFFAOYSA-N
Molecular formula
C23H19BrF3NO3
Average molar mass
494.3 g/mol

Names & identifiers

Preferred name
1-[3-(3-Bromo-5-methoxy-xanthen-9-ylidene)-8-aza-bicyclo[3.2.1]oct-8-yl]-2,2,2-trifluoro-ethanone
IUPAC
1-[3-(3-bromo-5-methoxyxanthen-9-ylidene)-8-azabicyclo[3.2.1]octan-8-yl]-2,2,2-trifluoroethanone

Names & synonyms

1-[3-(3-Bromo-5-methoxy-xanthen-9-ylidene)-8-aza-bicyclo[3.2.1]oct-8-yl]-2,2,2-trifluoro-ethanoneSCHEMBL3961148

Database identifiers

PubChem CID
57725349

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
31

Related reactions

3 records
New reaction record

Compound notes

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