Basic information
- CAS
925145-53-5- Standard SMILES
Clc1ccccc1COc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1- InChIKey
UXOYOYBNEVMZJK-UHFFFAOYSA-N- Molecular formula
- C21H14ClN5OS
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.060759
Names & identifiers
- Preferred name
- 2-Chlorobenzyl 4-[3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl ether
- IUPAC
- 6-[4-[(2-chlorophenyl)methoxy]phenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 2-chlorobenzyl 4-[3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl ether
- Molecular formula
- C21H14ClN5OS
- Molecular weight
- 419.88676
Names & synonyms
925145-53-56-[4-[(2-Chlorophenyl)methoxy]phenyl]-3-(3-pyridinyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole2-chlorobenzyl 4-[3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl etherDTXSID301118798STK506635AKOS003382950AO-365/433009046-[4-[(2-chlorophenyl)methoxy]phenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-{4-[(2-chlorobenzyl)oxy]phenyl}-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-{4-[(2-chlorobenzyl)oxy]phenyl}-3-pyridin-3-yl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-{4-[(2-Chlorophenyl)methoxy]phenyl}-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Database identifiers
- CAS
925145-53-5- PubChem CID
- 16004348
- DTXSID
DTXSID301118798
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 537
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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