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Basic information
- Standard SMILES
COc1ccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)cc1C(=O)O- InChIKey
NEJLMXJECPLPCI-UHFFFAOYSA-N- Molecular formula
- C27H28N2O4
- Average molar mass
- 444.5 g/mol
Names & identifiers
- Preferred name
- 5-[4-(1-furan-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-2-methoxy-benzoic Acid
- IUPAC
- 5-[[4-[1-(furan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid
Names & synonyms
SCHEMBL5358193NEJLMXJECPLPCI-UHFFFAOYSA-N5-[4-(1-furan-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-2-methoxy-benzoic Acid
Database identifiers
- PubChem CID
- 10182012
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
Related reactions
1 records
Compound notes
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