Basic information
- Standard SMILES
CC1CN(Cc2ccc(C#N)cn2)CCN1C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1- InChIKey
ZCCATCMRDITVRX-UHFFFAOYSA-N- Molecular formula
- C22H19F3N6O2
- Average molar mass
- 456.4 g/mol
Names & identifiers
- Preferred name
- 6-((3-Methyl-4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)methyl)nicotinonitrile
- IUPAC
- 6-[[3-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methyl]pyridine-3-carbonitrile
Names & synonyms
6-((3-Methyl-4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)methyl)nicotinonitrileSCHEMBL2224667
Database identifiers
- PubChem CID
- 53327808
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 743
Related reactions
1 records
Compound notes
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