Basic information
- Standard SMILES
Cn1c(-c2ccccc2Cl)nnc1C(C)(C)C=Cc1ccccc1- InChIKey
VCPPPEASBHZSQF-UHFFFAOYSA-N- Molecular formula
- C20H20ClN3
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.1345753
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-4-methyl-5-(2-methyl-4-phenylbut-3-en-2-yl)-1,2,4-triazole
- IUPAC
- 3-(2-chlorophenyl)-4-methyl-5-(2-methyl-4-phenylbut-3-en-2-yl)-1,2,4-triazole
Names & synonyms
SCHEMBL2986150
Database identifiers
- PubChem CID
- 68467017
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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