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Basic information
- CAS
1613238-81-5- Standard SMILES
Cc1nc(C(C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(Br)cn2)no1- InChIKey
GRNZLVAFIFDDIO-UHFFFAOYSA-N- Molecular formula
- C17H18BrF3N4O3
- Average molar mass
- 463.2 g/mol
- Monoisotopic mass
- 462.0514372
Names & identifiers
- Preferred name
- 5-Bromo-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid [2-cyclopropyl-1-methyl-1-(5-methyl-[1,2,4]oxadiazol-3-yl)-ethyl]-amide
- IUPAC
- 5-bromo-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
Names & synonyms
5-Bromo-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid [2-cyclopropyl-1-methyl-1-(5-methyl-[1,2,4]oxadiazol-3-yl)-ethyl]-amideSCHEMBL17308880DTXSID9011046861613238-81-55-Bromo-N-[2-cyclopropyl-1-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2,2,2-trifluoroethoxy)-2-pyridinecarboxamide
Database identifiers
- CAS
1613238-81-5- PubChem CID
- 118554271
- DTXSID
DTXSID901104686
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 566
Related reactions
1 records
Compound notes
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