N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
Basic information
- CAS
896044-86-3- Standard SMILES
CCc1nnc(NC(=O)CSc2ccc(-c3ccccc3OC)nn2)s1- InChIKey
WCTNSVBVDHJDFE-UHFFFAOYSA-N- Molecular formula
- C17H17N5O2S2
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.08236715
Names & identifiers
- Preferred name
- N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
- IUPAC
- N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
Names & synonyms
896044-86-3N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamideN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl}acetamideN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((6-(2-methoxyphenyl)pyridazin-3-yl)thio)acetamideMLS000678637CHEMBL1322354DTXSID101330455HMS2736P05AKOS024618419SMR000323866F1899-0911
Database identifiers
- CAS
896044-86-3- PubChem CID
- 7206079
- DTXSID
DTXSID101330455- ChEMBL
CHEMBL1322354
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
Experimental & physicochemical properties
Solubility1.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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