Basic information
- Standard SMILES
CN(CCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1F)C(=O)OC(C)(C)C- InChIKey
IMTRJYACVALTOD-UHFFFAOYSA-N- Molecular formula
- C22H25FN2O5S
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- 2-[1-(2-fluorobenzenesulfonyl)-1H-indol-4-yloxy]ethyl methylcarbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl]-N-methylcarbamate
Names & synonyms
SCHEMBL6176739IMTRJYACVALTOD-UHFFFAOYSA-N2-[1-(2-fluorobenzenesulfonyl)-1H-indol-4-yloxy]ethyl methylcarbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 11178391
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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