6-(2,3-Dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Basic information
- CAS
724431-66-7- Standard SMILES
COc1cccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)c1OC- InChIKey
ZODZUKTXKMBNHJ-UHFFFAOYSA-N- Molecular formula
- C18H13F3N4O2S
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.07113133
Names & identifiers
- Preferred name
- 6-(2,3-Dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C18H13F3N4O2S
- Molecular weight
- 406.3816296
Names & synonyms
6-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleAP-501/42610312
Database identifiers
- CAS
724431-66-7- PubChem CID
- 985685
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 535
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Compound notes
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