8-(3-Chlorobenzyl)-7-(ethoxycarbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonate

HCID 57476723
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Basic information

Standard SMILES
CCOC(=O)NC1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1Cc1cccc(Cl)c1
InChIKey
SDSBNETWNSEHLT-UHFFFAOYSA-N
Molecular formula
C21H21ClF3NO5S
Average molar mass
491.9 g/mol
Monoisotopic mass
491.0781061

Names & identifiers

Preferred name
8-(3-Chlorobenzyl)-7-(ethoxycarbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonate
IUPAC
[8-[(3-chlorophenyl)methyl]-7-(ethoxycarbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] trifluoromethanesulfonate

Names & synonyms

8-(3-chlorobenzyl)-7-(ethoxycarbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonateSCHEMBL3094550

Database identifiers

PubChem CID
57476723

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
90.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
32

Related reactions

3 records
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Linked notes

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