6-(Furan-2-yl)-2-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]decan-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
Basic information
- CAS
6927-15-7- Standard SMILES
N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCC(=O)C12CC3CC(CC(C3)C1)C2- InChIKey
RTVWOMUZUQVEGP-UHFFFAOYSA-N- Molecular formula
- C23H21F3N2O2S
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.12758358
Names & identifiers
- Preferred name
- 6-(Furan-2-yl)-2-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]decan-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
- IUPAC
- 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Names & synonyms
6927-15-7DTXSID304117466-(Furan-2-yl)-2-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]decan-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile2-{[2-(Adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Database identifiers
- CAS
6927-15-7- PubChem CID
- 5230403
- DTXSID
DTXSID30411746
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 722
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…