ethyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]phenylcarboxylate
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Basic information
- Standard SMILES
CCOC(=O)c1ccc(Oc2cc(-n3nc(C)n(C(F)F)c3=O)c(F)cc2Cl)cc1- InChIKey
CEOKGKBWXJBWMX-UHFFFAOYSA-N- Molecular formula
- C19H15ClF3N3O4
- Average molar mass
- 441.8 g/mol
- Monoisotopic mass
- 441.0703181
Names & identifiers
- Preferred name
- ethyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]phenylcarboxylate
- IUPAC
- ethyl 4-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenoxy]benzoate
Names & synonyms
SCHEMBL9631583ethyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro -3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]phenylcarboxylateethyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]phenylcarboxylate
Database identifiers
- PubChem CID
- 19912232
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 675
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Related reactions
2 records
Compound notes
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