Basic information
- Standard SMILES
Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1C(C)COS(C)(=O)=O- InChIKey
CWEUOPKSALLAQP-UHFFFAOYSA-N- Molecular formula
- C15H15F3N2O3S
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- 2-(5-cyano-2-methyl-4-(trifluoromethyl)-1H-indol-1-yl)propyl methanesulfonate
- IUPAC
- 2-[5-cyano-2-methyl-4-(trifluoromethyl)indol-1-yl]propyl methanesulfonate
Names & synonyms
2-(5-cyano-2-methyl-4-(trifluoromethyl)-1H-indol-1-yl)propyl methanesulfonateSCHEMBL15421327
Database identifiers
- PubChem CID
- 86709161
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 608
Related reactions
2 records
Compound notes
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