6-Methyl-2-((2-oxo-2-tricyclo(3.3.1.13,7)dec-1-ylethyl)thio)-4-(trifluoromethyl)-3-pyridinecarbonitrile

HCID 3547239

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 299198-62-2
Standard SMILES: Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIKey: QKNQRDRBZZWDCP-UHFFFAOYSA-N
Molecular formula: C20H21F3N2OS
Average molar mass: 394.5 g/mol
Monoisotopic mass: 394.13266896

Names & identifiers

Preferred name: 6-Methyl-2-((2-oxo-2-tricyclo(3.3.1.13,7)dec-1-ylethyl)thio)-4-(trifluoromethyl)-3-pyridinecarbonitrile
IUPAC: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Names & synonyms

299198-62-26-Methyl-2-[(2-oxo-2-tricyclo[3.3.1.13,7]dec-1-ylethyl)thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile6-Methyl-2-((2-oxo-2-tricyclo(3.3.1.13,7)dec-1-ylethyl)thio)-4-(trifluoromethyl)-3-pyridinecarbonitrileRefChem:3089142-{[2-(ADAMANTAN-1-YL)-2-OXOETHYL]SULFANYL}-6-METHYL-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONITRILEChemDiv1_010569HMS617A09QKNQRDRBZZWDCP-UHFFFAOYSA-NDTXSID701112085AKOS0055918172-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-methyl-4-trifluoromethyl-nicotinonitrileST046029

Show more names

AG-205/33143031SR-01000507271SR-01000507271-12-(2-adamantanyl-2-oxoethylthio)-6-methyl-4-(trifluoromethyl)pyridine-3-carbon itrile2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)nicotinonitrile

Database identifiers

CAS: 299198-62-2
PubChem CID: 3547239
DTXSID

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 79.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 614

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…