Basic information
- CAS
82450-99-5- Standard SMILES
Cc1ccc(-c2nc3scc(-c4ccc(Cl)cc4)n3n2)cc1- InChIKey
BGQKJBBTEFIMRW-UHFFFAOYSA-N- Molecular formula
- C17H12ClN3S
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0440463
Names & identifiers
- Preferred name
- Thiazolo[3,2-b][1,2,4]triazole, 6-(4-chlorophenyl)-2-(4-methylphenyl)-
- IUPAC
- 6-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
Names & synonyms
82450-99-5Thiazolo[3,2-b][1,2,4]triazole, 6-(4-chlorophenyl)-2-(4-methylphenyl)-6-(4-chlorophenyl)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazole6-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazoleDTXSID90357313AP-381/41075961
Database identifiers
- CAS
82450-99-5- PubChem CID
- 850191
- DTXSID
DTXSID90357313
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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