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Basic information
- Standard SMILES
N#Cc1csc(NC(=O)Cn2c(=O)ccc3cc(C(F)(F)F)ccc32)c1-n1ccnn1- InChIKey
SOYZWFHIQDLKRP-UHFFFAOYSA-N- Molecular formula
- C19H11F3N6O2S
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.06162927
Names & identifiers
- Preferred name
- N-(4-Cyano-3-(1H-1,2,3-triazol-1-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)quinolin-1(2H)-yl)acetamide
- IUPAC
- N-[4-cyano-3-(triazol-1-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
Names & synonyms
N-(4-Cyano-3-(1H-1,2,3-triazol-1-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)quinolin-1(2H)-yl)acetamideSCHEMBL3780580CHEMBL5938497SCHEMBL29456184BDBM351697US9796706, Compound 141n-(4-cyano-3-(1h-1,2,3-triazol-1-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)quinolin-1 (2h)-yl)acetamide
Database identifiers
- PubChem CID
- 59636652
- ChEMBL
CHEMBL5938497
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 799
Related reactions
3 records
Compound notes
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