Basic information
- Standard SMILES
Cn1c(-c2ccccc2Cl)nnc1C(C)(C)/C=C/c1ccccc1- InChIKey
VCPPPEASBHZSQF-BUHFOSPRSA-N- Molecular formula
- C20H20ClN3
- Average molar mass
- 337.8 g/mol
Names & identifiers
- Preferred name
- 3-(2-chlorophenyl)-5-[(2E)-1,1-dimethyl-3-phenylprop-2-en-1-yl]-4-methyl-1,2,4-triazol
- IUPAC
- 3-(2-chlorophenyl)-4-methyl-5-[(E)-2-methyl-4-phenylbut-3-en-2-yl]-1,2,4-triazole
Names & synonyms
SCHEMBL2986146VCPPPEASBHZSQF-BUHFOSPRSA-N3-(2-chlorophenyl)-5-[(2E)-1,1-dimethyl-3-phenylprop-2-en-1-yl]-4-methyl-1,2,4-triazol
Database identifiers
- PubChem CID
- 68467014
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Related reactions
1 records
Compound notes
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