Basic information
- Standard SMILES
CC(C)Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1nnc(-c2cncc(Br)c2)o1- InChIKey
VANWVTNZMMWLCR-UHFFFAOYSA-N- Molecular formula
- C22H17BrF3N5O
- Average molar mass
- 504.3 g/mol
Names & identifiers
- Preferred name
- 1-{[5-(5-Bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrile
- IUPAC
- 1-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-4-(trifluoromethyl)indole-5-carbonitrile
Names & synonyms
1-{[5-(5-Bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrileSCHEMBL2436447
Database identifiers
- PubChem CID
- 67406971
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 701
Related reactions
4 records
Compound notes
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