2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Basic information
- CAS
896045-35-5- Standard SMILES
CCc1ccc(-c2ccc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn2)cc1- InChIKey
IXZLIGCSXUZAAC-UHFFFAOYSA-N- Molecular formula
- C21H18F3N3OS
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.11226787
Names & identifiers
- Preferred name
- 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
- IUPAC
- 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Names & synonyms
896045-35-52-[[6-(4-Ethylphenyl)-3-pyridazinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide2-{[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamideDTXSID301133714AKOS0246184352-((6-(4-ethylphenyl)pyridazin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamideF1899-0969
Database identifiers
- CAS
896045-35-5- PubChem CID
- 7206099
- DTXSID
DTXSID301133714
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 526
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Compound notes
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