Basic information
- Standard SMILES
O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1- InChIKey
UWQNJCXAVZULQF-UHFFFAOYSA-N- Molecular formula
- C20H16BrF3N6O2S
- Average molar mass
- 541.3 g/mol
Names & identifiers
- Preferred name
- 6-[4-(6-Bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Names & synonyms
6-[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazineSCHEMBL2265061
Database identifiers
- PubChem CID
- 67340202
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 807
Related reactions
2 records
Compound notes
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