Basic information
- CAS
893999-65-0- Standard SMILES
O=C(CSc1ccc(-c2ccccn2)nn1)NCc1ccc(F)cc1- InChIKey
WDMWOZKPEDPFFK-UHFFFAOYSA-N- Molecular formula
- C18H15FN4OS
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.09506045
Names & identifiers
- Preferred name
- N-[(4-fluorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
- IUPAC
- N-[(4-fluorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
Names & synonyms
893999-65-0N-[(4-fluorophenyl)methyl]-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamideN-[(4-fluorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamideN-(4-fluorobenzyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamideMLS000678498CHEMBL1702411DTXSID901326987HMS2707F15AKOS024620238SMR000323984SR-01000019262SR-01000019262-1
Show more names
F2005-0133
Database identifiers
- CAS
893999-65-0- PubChem CID
- 7207367
- DTXSID
DTXSID901326987- ChEMBL
CHEMBL1702411
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
Experimental & physicochemical properties
Solubility18.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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