Basic information
- Standard SMILES
O=C(CN1C(=O)C(F)(F)c2ccccc21)Nc1scc(Br)c1-c1nnc[nH]1- InChIKey
QVTKXADFSYUCCL-UHFFFAOYSA-N- Molecular formula
- C16H10BrF2N5O2S
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 452.97066
Names & identifiers
- Preferred name
- N-(4-bromo-3-(4H-1,2,4-triazol-3-yl)thiophen-2-yl)-2-(3,3-difluoro-2-oxoindolin-1-yl)acetamide
- IUPAC
- N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(3,3-difluoro-2-oxoindol-1-yl)acetamide
Names & synonyms
N-(4-bromo-3-(4H-1,2,4-triazol-3-yl)thiophen-2-yl)-2-(3,3-difluoro-2-oxoindolin-1-yl)acetamideSCHEMBL3785495CHEMBL5902200BDBM351684US9796706, Compound 128
Database identifiers
- PubChem CID
- 59636650
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 615
Related reactions
3 records
Compound notes
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