ethyl 4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)thiazole-5-carboxylate
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Basic information
- Standard SMILES
CCOC(=O)c1sc(-n2cnn(CCCC(F)(F)F)c2=O)nc1C- InChIKey
AIUXJQAFUVKDBZ-UHFFFAOYSA-N- Molecular formula
- C13H15F3N4O3S
- Average molar mass
- 364.35 g/mol
Names & identifiers
- Preferred name
- ethyl 4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)thiazole-5-carboxylate
- IUPAC
- ethyl 4-methyl-2-[5-oxo-1-(4,4,4-trifluorobutyl)-1,2,4-triazol-4-yl]-1,3-thiazole-5-carboxylate
Names & synonyms
ethyl 4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)thiazole-5-carboxylateSCHEMBL243859
Database identifiers
- PubChem CID
- 58031433
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 517
Related reactions
5 records
Compound notes
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