Basic information
- Standard SMILES
CCOC(=O)c1n[nH]c(CNC(=O)C(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)n1- InChIKey
XRHOJVCCAZUTIN-UHFFFAOYSA-N- Molecular formula
- C26H20F3N7O6
- Average molar mass
- 583.5 g/mol
- Monoisotopic mass
- 583.14271587
Names & identifiers
- Preferred name
- ethyl 5-((2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamido)methyl)-1H-1,2,4-triazole-3-carboxylate
- IUPAC
- ethyl 5-[[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]methyl]-1H-1,2,4-triazole-3-carboxylate
Names & synonyms
ethyl 5-((2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamido)methyl)-1H-1,2,4-triazole-3-carboxylateSCHEMBL2576169
Database identifiers
- PubChem CID
- 67459010
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 921
Related reactions
1 records
Compound notes
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