N-cyclopentyl-2-((6-(4-ethylphenyl)pyridazin-3-yl)thio)acetamide

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Basic information

CAS: 896045-28-6
Standard SMILES: CCc1ccc(-c2ccc(SCC(=O)NC3CCCC3)nn2)cc1
InChIKey: YIOJMMHCAVZCOM-UHFFFAOYSA-N
Molecular formula: C19H23N3OS
Average molar mass: 341.5 g/mol
Monoisotopic mass: 341.15618354

Names & identifiers

Preferred name: N-cyclopentyl-2-((6-(4-ethylphenyl)pyridazin-3-yl)thio)acetamide
IUPAC: N-cyclopentyl-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide

Names & synonyms

896045-28-6MLS001235954CHEMBL1898942DTXSID001171301N-cyclopentyl-2-((6-(4-ethylphenyl)pyridazin-3-yl)thio)acetamideAKOS024618434SMR000807207F1899-0956N-Cyclopentyl-2-[[6-(4-ethylphenyl)-3-pyridazinyl]thio]acetamideN-Cyclopentyl-2-{[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl}acetamide

Database identifiers

CAS: 896045-28-6
PubChem CID: 7206098
DTXSID: DTXSID001171301
ChEMBL: CHEMBL1898942

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 80.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 392

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Compound notes

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