2-[4-(4-bromo-benzenesulfonylmethyl)-oxazol-2-yl]-5-trifluoromethoxy-1H-indole

HCID 136331963
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Basic information

Standard SMILES
O=S(=O)(Cc1coc(-c2cc3cc(OC(F)(F)F)ccc3[nH]2)n1)c1ccc(Br)cc1
InChIKey
NHJYMIPGNRYJBN-UHFFFAOYSA-N
Molecular formula
C19H12BrF3N2O4S
Average molar mass
501.3 g/mol

Names & identifiers

Preferred name
2-[4-(4-bromo-benzenesulfonylmethyl)-oxazol-2-yl]-5-trifluoromethoxy-1H-indole
IUPAC
4-[(4-bromophenyl)sulfonylmethyl]-2-[5-(trifluoromethoxy)-1H-indol-2-yl]-1,3-oxazole

Names & synonyms

2-[4-(4-bromo-benzenesulfonylmethyl)-oxazol-2-yl]-5-trifluoromethoxy-1H-indoleSCHEMBL4861072NHJYMIPGNRYJBN-UHFFFAOYSA-NSRMBZPXSEKXRHM-UHFFFAOYSA-N

Database identifiers

PubChem CID
136331963

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
93.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
30

Related reactions

4 records
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Compound notes

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