Basic information
- Standard SMILES
Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1csc(-c2cccc(C(F)(F)F)c2)n1- InChIKey
DDEQCLGYQFEOSZ-UHFFFAOYSA-N- Molecular formula
- C22H13F6N3S
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 465.07343757
Names & identifiers
- Preferred name
- 2-Methyl-4-(trifluoromethyl)-1-({2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)-1H-indole-5-carbonitrile
- IUPAC
- 2-methyl-4-(trifluoromethyl)-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]indole-5-carbonitrile
Names & synonyms
2-Methyl-4-(trifluoromethyl)-1-({2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)-1H-indole-5-carbonitrileSCHEMBL2430854
Database identifiers
- PubChem CID
- 86620697
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 719
Related reactions
3 records
Compound notes
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