Basic information
- Standard SMILES
COC(=O)Cn1c(C)c(Cc2cccnc2S(=O)(=O)c2ccccc2)c2cc(F)ccc21- InChIKey
MCOCIOLONRITKR-UHFFFAOYSA-N- Molecular formula
- C24H21FN2O4S
- Average molar mass
- 452.5 g/mol
Names & identifiers
- Preferred name
- [3-(2-Benzenesulfonylpyridin-3-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetic acid methyl ester
- IUPAC
- methyl 2-[3-[[2-(benzenesulfonyl)-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate
Names & synonyms
SCHEMBL1467546MCOCIOLONRITKR-UHFFFAOYSA-N[3-(2-benzenesulfonylpyridin-3-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetic acid methyl ester
Database identifiers
- PubChem CID
- 67044945
Properties
Computed structural properties
- XLogP
- 4.5
- 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
Loading…