tert-butyl 2-(N-(3-bromo-5-fluorobenzyl)-2,2-dimethylchroman-6-sulfonamido)acetate

HCID 58409093
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CN(Cc1cc(F)cc(Br)c1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2
InChIKey
XAUPVWQYXDCENT-UHFFFAOYSA-N
Molecular formula
C24H29BrFNO5S
Average molar mass
542.5 g/mol

Names & identifiers

Preferred name
tert-butyl 2-(N-(3-bromo-5-fluorobenzyl)-2,2-dimethylchroman-6-sulfonamido)acetate
IUPAC
tert-butyl 2-[(3-bromo-5-fluorophenyl)methyl-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]amino]acetate

Names & synonyms

SCHEMBL2245143XAUPVWQYXDCENT-UHFFFAOYSA-Ntert-butyl 2-(N-(3-bromo-5-fluorobenzyl)-2,2-dimethylchroman-6-sulfonamido)acetate

Database identifiers

PubChem CID
58409093

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
81.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
33

Related reactions

2 records
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Compound notes

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