3-(2-chlorophenyl)-5-(2-fluoro-5-hexylphenyl) 1-methyl-1H-1,2,4-triazole
Basic information
- Standard SMILES
CCCCCCc1ccc(F)c(-c2nc(-c3ccccc3Cl)nn2C)c1- InChIKey
HETALEBIUJTMBD-UHFFFAOYSA-N- Molecular formula
- C21H23ClFN3
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1564536
Names & identifiers
- Preferred name
- 3-(2-chlorophenyl)-5-(2-fluoro-5-hexylphenyl) 1-methyl-1H-1,2,4-triazole
- IUPAC
- 3-(2-chlorophenyl)-5-(2-fluoro-5-hexylphenyl)-1-methyl-1,2,4-triazole
Names & synonyms
SCHEMBL8874970HETALEBIUJTMBD-UHFFFAOYSA-N3-(2-chlorophenyl)-5-(2-fluoro-5-hexylphenyl) 1-methyl-1H-1,2,4-triazole3-(2-chlorophenyl)-5-(2-fluoro-5-hexylphenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463679
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 424
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Related reactions
2 records
Compound notes
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