Basic information
- Standard SMILES
O=C(O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(-c5cccnc5N5CCCOCC5)ccc(F)c43)ccc21- InChIKey
UEEGIOIDXACTCR-IQGLISFBSA-N- Molecular formula
- C29H29FN2O5
- Average molar mass
- 504.5 g/mol
Names & identifiers
- Preferred name
- {(S)-6-[(R)-7-Fluoro-4-(2-[1,4]oxazepan-4-yl-pyridin-3-yl)-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid
- IUPAC
- 2-[(3S)-6-[[(1R)-7-fluoro-4-[2-(1,4-oxazepan-4-yl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Names & synonyms
SCHEMBL15263149UEEGIOIDXACTCR-IQGLISFBSA-N{(S)-6-[(R)-7-Fluoro-4-(2-[1,4]oxazepan-4-yl-pyridin-3-yl)-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid
Database identifiers
- PubChem CID
- 86697396
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 787
Related reactions
1 records
Compound notes
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