N-(4-Bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(6-fluoroquinolin-7-yl)acetamide
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Basic information
- Standard SMILES
O=C(Cc1cc2ncccc2cc1F)Nc1scc(Br)c1-c1ncn[nH]1- InChIKey
WASYKACWTDBGKU-UHFFFAOYSA-N- Molecular formula
- C17H11BrFN5OS
- Average molar mass
- 432.3 g/mol
- Monoisotopic mass
- 430.98517
Names & identifiers
- Preferred name
- N-(4-Bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(6-fluoroquinolin-7-yl)acetamide
- IUPAC
- N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(6-fluoroquinolin-7-yl)acetamide
Names & synonyms
N-(4-Bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(6-fluoroquinolin-7-yl)acetamideSCHEMBL3785510CHEMBL5776078WASYKACWTDBGKU-UHFFFAOYSA-NBDBM351675US9796706, Compound 119
Database identifiers
- PubChem CID
- 68786014
- ChEMBL
CHEMBL5776078
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
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Related reactions
3 records
Compound notes
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