1-Phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
Basic information
- CAS
896058-17-6- Standard SMILES
O=C(CSc1ccc(-c2ccncc2)nn1)c1ccccc1- InChIKey
QZVAJURRIIQZQQ-UHFFFAOYSA-N- Molecular formula
- C17H13N3OS
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.07793322
Names & identifiers
- Preferred name
- 1-Phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
- IUPAC
- 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
Names & synonyms
896058-17-6MLS000678543CHEMBL14608441-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanoneDTXSID701329066HMS2773A22AKOS024620279SMR000324009SR-01000019291SR-01000019291-1F2005-02041-phenyl-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)ethanone
Show more names
1-Phenyl-2-{[6-(pyridin-4-yl)pyridazin-3-yl]sulfanyl}ethan-1-one
Database identifiers
- CAS
896058-17-6- PubChem CID
- 7207422
- DTXSID
DTXSID701329066- ChEMBL
CHEMBL1460844
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
Solubility6.1 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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