Basic information
- Standard SMILES
COC(=O)Cn1c(C)c(Cc2cnccc2S(=O)(=O)c2ccccc2)c2cc(F)ccc21- InChIKey
WPMQFCQHIACSQI-UHFFFAOYSA-N- Molecular formula
- C24H21FN2O4S
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.12060649
Names & identifiers
- Preferred name
- [5-Fluoro-3-(4-phenylsulfonylpyridin-3-ylmethyl)-2-methylindol-1-yl]acetic acid methyl ester
- IUPAC
- methyl 2-[3-[[4-(benzenesulfonyl)-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate
Names & synonyms
SCHEMBL1467676WPMQFCQHIACSQI-UHFFFAOYSA-N[5-fluoro-3-(4-phenylsulfonylpyridin-3-ylmethyl)-2-methylindol-1-yl]acetic acid methyl ester
Database identifiers
- PubChem CID
- 67044979
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 752
Related reactions
4 records
Compound notes
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