4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-
Basic information
- CAS
141078-93-5- Standard SMILES
Cc1ccc(-n2c(COc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1- InChIKey
HADQMNWSGVMPFX-UHFFFAOYSA-N- Molecular formula
- C22H18ClN3O
- Average molar mass
- 375.8 g/mol
- Monoisotopic mass
- 375.1138399
Names & identifiers
- Preferred name
- 4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-
- IUPAC
- 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazole
Names & synonyms
141078-93-5BRN 54528744H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-3-(4-Chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazoleDTXSID80161542RefChem:296920DTXCID30840333-(4-Chlorophenyl)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole
Database identifiers
- CAS
141078-93-5- PubChem CID
- 3072147
- DTXSID
DTXSID80161542
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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