Basic information
- Standard SMILES
COc1cc(Cc2c(-c3ccc(OCCCC(=O)O)cc3)sc3ccccc23)ccc1OCCN1CCCC1- InChIKey
NEBFHSTZPMQWPR-UHFFFAOYSA-N- Molecular formula
- C32H35NO5S
- Average molar mass
- 545.7 g/mol
- Monoisotopic mass
- 545.22359439
Names & identifiers
- Preferred name
- 4-[4-[3-[[3-Methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanoic acid
- IUPAC
- 4-[4-[3-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanoic acid
Database identifiers
- PubChem CID
- 21706363
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 740
Related reactions
1 records
Compound notes
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