5-(4-t-butyl-2-ethoxyphenyl)-3-(2-chloro-6-fluorophenyl) 1-methyl-1H-1,2,4-triazole
Basic information
- Standard SMILES
CCOc1cc(C(C)(C)C)ccc1-c1nc(-c2c(F)cccc2Cl)nn1C- InChIKey
MCDXDQJIKFSDDV-UHFFFAOYSA-N- Molecular formula
- C21H23ClFN3O
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1513682
Names & identifiers
- Preferred name
- 5-(4-t-butyl-2-ethoxyphenyl)-3-(2-chloro-6-fluorophenyl) 1-methyl-1H-1,2,4-triazole
- IUPAC
- 5-(4-tert-butyl-2-ethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1,2,4-triazole
Names & synonyms
SCHEMBL8875426MCDXDQJIKFSDDV-UHFFFAOYSA-N5-(4-t-butyl-2-ethoxyphenyl)-3-(2-chloro-6-fluorophenyl) 1-methyl-1H-1,2,4-triazole5-(4-t-butyl-2-ethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463652
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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