Basic information
- Standard SMILES
O=C(O)c1cc2cccc(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)c2o1- InChIKey
YHDMWUIZFHKOOX-QHCPKHFHSA-N- Molecular formula
- C27H27NO5
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- (S)-7-(2-hydroxy-3-(4-(naphthalen-2-yl)piperidino)propyloxy)benzo(b)furan-2-carboxylic Acid
- IUPAC
- 7-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylic acid
Names & synonyms
SCHEMBL5584319YHDMWUIZFHKOOX-QHCPKHFHSA-N(S) -7-(2-hydroxy-3-(4-(naphthalen-2-yl)piperidino)propyloxy) -benzo(b)furan-2-carboxylic acid(S)-7-(2-hydroxy-3-(4-(naphthalen-2-yl)piperidino)propyloxy) -benzo(b)furan-2-carboxylic acid(S)-7-(2-hydroxy-3-(4-(naphthalen-2-yl)piperidino)propyloxy)benzo(b)furan-2-carboxylic Acid
Database identifiers
- PubChem CID
- 60078085
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 650
Related reactions
2 records
Compound notes
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