2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
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Basic information
- CAS
505057-86-3- Standard SMILES
CSc1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1- InChIKey
YDTVAJLRYYVRKW-UHFFFAOYSA-N- Molecular formula
- C18H14F3N3O2S2
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.04795353
Names & identifiers
- Preferred name
- 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
- IUPAC
- 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
- English name
- 2-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide
- Molecular formula
- C18H14F3N3O2S2
- Molecular weight
- 425.4478696
Names & synonyms
2-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamideBAS 03153760AKOS000557385CCG-1175102-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamideST50270305AN-329/422857522-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(2-methylthiophenyl)ac etamide2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide
Database identifiers
- CAS
505057-86-3- PubChem CID
- 3145780
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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