Basic information
- Standard SMILES
O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CCOC3)c3ccccc23)CC1- InChIKey
TZTIUIKWDMHWQK-UHFFFAOYSA-N- Molecular formula
- C27H32N2O4
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.23620751
Names & identifiers
- Preferred name
- 2-(2-{4-[1-(tetrahydro-furan-3-ylmethyl)-1H-indol-3-yl)-piperidin-1-yl}-ethoxy)-benzoic Acid
- IUPAC
- 2-[2-[4-[1-(oxolan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Names & synonyms
2-(2-{4-[1-(tetrahydro-furan-3-ylmethyl)-1H-indol-3-yl)-piperidin-1-yl}-ethoxy)-benzoic Acid2-(2-{4-[1-(tetrahydro-furan-3-ylmethyl)-1H-indol-3-yl]-piperidin-1-yl}-ethoxy)-benzoic acidSCHEMBL5350337TZTIUIKWDMHWQK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10138673
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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