2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-1-methanesulfonyl-6-trifluoromethyl-1H-indole-5-carbonitrile
Basic information
- Standard SMILES
CCSCC(C)(O)c1cc2cc(C#N)c(C(F)(F)F)cc2n1S(C)(=O)=O- InChIKey
NWDDABVFBJVJEZ-UHFFFAOYSA-N- Molecular formula
- C16H17F3N2O3S2
- Average molar mass
- 406.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-1-methanesulfonyl-6-trifluoromethyl-1H-indole-5-carbonitrile
- IUPAC
- 2-(1-ethylsulfanyl-2-hydroxypropan-2-yl)-1-methylsulfonyl-6-(trifluoromethyl)indole-5-carbonitrile
Names & synonyms
2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-1-methanesulfonyl-6-trifluoromethyl-1H-indole-5-carbonitrileSCHEMBL9806412-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl )-1-methanesulfonyl-6-trifluoromethyl-1H-indole-5-carbonitrile
Database identifiers
- PubChem CID
- 66865601
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 670
Related reactions
17 records
Compound notes
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