3-(5-Bromo-benzothiazol-2-ylmethoxy)-2,6-difluoro-benzamide

HCID 46237014
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Basic information

Standard SMILES
NC(=O)c1c(F)ccc(OCc2nc3cc(Br)ccc3s2)c1F
InChIKey
BYLRFGMBCFIJID-UHFFFAOYSA-N
Molecular formula
C15H9BrF2N2O2S
Average molar mass
399.2 g/mol
Monoisotopic mass
397.95362

Names & identifiers

Preferred name
3-(5-Bromo-benzothiazol-2-ylmethoxy)-2,6-difluoro-benzamide
IUPAC
3-[(5-bromo-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide

Names & synonyms

SCHEMBL202069CHEMBL1097446BYLRFGMBCFIJID-UHFFFAOYSA-N3-(5-Bromo-benzothiazol-2-ylmethoxy)-2,6-difluoro-benzamide3-[(5-Bromo-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzenecarboxamide

Database identifiers

PubChem CID
46237014
ChEMBL
CHEMBL1097446

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
93.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
23

Related reactions

14 records
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Compound notes

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