N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
Basic information
- CAS
894004-98-9- Standard SMILES
COc1cccc(CNC(=O)CSc2ccc(-c3ccncc3)nn2)c1- InChIKey
UNCNWGNKIXAVGH-UHFFFAOYSA-N- Molecular formula
- C19H18N4O2S
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.115047
Names & identifiers
- Preferred name
- N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
- IUPAC
- N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
Names & synonyms
894004-98-9N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamideN-[(3-methoxyphenyl)methyl]-2-{[6-(pyridin-4-yl)pyridazin-3-yl]sulfanyl}acetamideN-(3-methoxybenzyl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamideMLS000678534CHEMBL1885438DTXSID401326118HMS2769J17AKOS024620300SMR000324020F2005-0267
Database identifiers
- CAS
894004-98-9- PubChem CID
- 7207475
- DTXSID
DTXSID401326118- ChEMBL
CHEMBL1885438
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 434
Experimental & physicochemical properties
Solubility43 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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