N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
Basic information
- CAS
894004-87-6- Standard SMILES
COc1cccc(CNC(=O)CSc2ccc(-c3ccccn3)nn2)c1- InChIKey
PSCCVPKCJHKNDK-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-2-ylpyridazin-3-yl)sulfanylacetamide
- IUPAC
- N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
Names & synonyms
894004-87-6N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamideN-[(3-methoxyphenyl)methyl]-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamideF2005-0265N-(3-methoxybenzyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamideMLS000678536CHEMBL1736794DTXSID101326119HMS2765E22SMSSF-0427319AKOS024620298SMR000324019
Show more names
SR-01000019300SR-01000019300-1N-(m-methoxyphenyl)methyl[6-(2-pyridyl)-3-pyridazinylthio]acetamide
Database identifiers
- CAS
894004-87-6- PubChem CID
- 7207470
- DTXSID
DTXSID101326119- ChEMBL
CHEMBL1736794
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
- 440
Experimental & physicochemical properties
Solubility46.1 [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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