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Basic information
- Standard SMILES
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(-c5c(C)cc(C6=CCN(S(C)(=O)=O)CC6)cc5C)ccc(F)c43)ccc21- InChIKey
IJHYTLDJAUKFIB-AYWVHJORSA-N- Molecular formula
- C34H36FNO6S
- Average molar mass
- 605.7 g/mol
- Monoisotopic mass
- 605.2247372
Names & identifiers
- Preferred name
- Methyl 2-((S)-6-((R)-4-(2,6-dimethyl-4-(1-(methylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate
- IUPAC
- methyl 2-[(3S)-6-[[(1R)-4-[2,6-dimethyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
Names & synonyms
SCHEMBL15262960IJHYTLDJAUKFIB-AYWVHJORSA-NMethyl 2-((S)-6-((R)-4-(2,6-dimethyl-4-(1-(methylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate
Database identifiers
- PubChem CID
- 86697152
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
1 records
Compound notes
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