4-{[4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]butanamide
Basic information
- CAS
5161-60-4- Standard SMILES
CSc1ccccc1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1- InChIKey
NAUXKRMDNAGBDC-UHFFFAOYSA-N- Molecular formula
- C20H18F3N3O2S2
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.07925366
Names & identifiers
- Preferred name
- 4-{[4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]butanamide
- IUPAC
- 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)butanamide
Names & synonyms
4-{[4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]butanamide5161-60-4DTXSID90389871AKOS000556924ST50272949
Database identifiers
- CAS
5161-60-4- PubChem CID
- 3148155
- DTXSID
DTXSID90389871
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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