2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
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Basic information
- CAS
332170-99-7- Standard SMILES
O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccccc1C(F)(F)F- InChIKey
VNGPOWUDJDIAEQ-UHFFFAOYSA-N- Molecular formula
- C17H11BrF3N3O2S
- Average molar mass
- 458.3 g/mol
- Monoisotopic mass
- 456.97074
Names & identifiers
- Preferred name
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
- IUPAC
- 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
- English name
- 2-{[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
- Molecular formula
- C17H11BrF3N3O2S
- Molecular weight
- 458.2523496
Names & synonyms
332170-99-72-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide2-{[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamideAKOS000566287ST50249077AG-690/137031192-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-trifluoromethyl-phenyl)-acetamide
Database identifiers
- CAS
332170-99-7- PubChem CID
- 1117351
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
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Compound notes
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