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Basic information
- Standard SMILES
Fc1ccc(Br)c(OC2CCN(c3nnc(-c4nn[nH]n4)s3)CC2)c1- InChIKey
VJYMDTMHJYNRJZ-UHFFFAOYSA-N- Molecular formula
- C14H13BrFN7OS
- Average molar mass
- 426.27 g/mol
- Monoisotopic mass
- 425.00697
Names & identifiers
- Preferred name
- 4-(2-Bromo-5-fluorophenoxy)-1-[5-(2H-tetrazol-5-yl)-1,3,4-thiadiazol-2-yl]piperidine
- IUPAC
- 2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole
Names & synonyms
CHEMBL2153600SCHEMBL473046VJYMDTMHJYNRJZ-UHFFFAOYSA-NBDBM503931654-(2-Bromo-5-fluorophenoxy)-1-[5-(2H-tetrazol-5-yl)-1,3,4-thiadiazol-2-yl]piperidine
Database identifiers
- PubChem CID
- 53388366
- ChEMBL
CHEMBL2153600
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
1 records
Compound notes
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