3-(3-Chlorophenyl)-6-(3,4-dimethylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Basic information
- CAS
825606-07-3- Standard SMILES
Cc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1C- InChIKey
PBGBXCQZNGXUBI-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4S
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.0549453
Names & identifiers
- Preferred name
- 3-(3-Chlorophenyl)-6-(3,4-dimethylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 3-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 3-(3-chlorophenyl)-6-(3,4-dimethylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C17H13ClN4S
- Molecular weight
- 340.82992
Names & synonyms
3-(3-chlorophenyl)-6-(3,4-dimethylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTK506533AKOS0036568753-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleAO-365/43113652
Database identifiers
- CAS
825606-07-3- PubChem CID
- 7313656
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
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Compound notes
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