5-(4-chloro-3-octyloxyphenyl)-3-(2-chlorophenyl) 1-methyl-1H-1,2,4-triazole
Basic information
- Standard SMILES
CCCCCCCCOc1cc(-c2nc(-c3ccccc3Cl)nn2C)ccc1Cl- InChIKey
XAMKGGFDSHCMDG-UHFFFAOYSA-N- Molecular formula
- C23H27Cl2N3O
- Average molar mass
- 432.4 g/mol
Names & identifiers
- Preferred name
- 5-(4-chloro-3-octyloxyphenyl)-3-(2-chlorophenyl) 1-methyl-1H-1,2,4-triazole
- IUPAC
- 5-(4-chloro-3-octoxyphenyl)-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole
Names & synonyms
SCHEMBL8875928XAMKGGFDSHCMDG-UHFFFAOYSA-N5-(4-chloro-3-octyloxyphenyl)-3-(2-chlorophenyl) 1-methyl-1H-1,2,4-triazole5-(4-chloro-3-octyloxyphenyl)-3-(2-chlorophenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463632
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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