Basic information
- Standard SMILES
O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3COCCO3)c3ccccc23)CC1- InChIKey
JRLPSHCJZZHNLN-UHFFFAOYSA-N- Molecular formula
- C28H34N2O5
- Average molar mass
- 478.6 g/mol
Names & identifiers
- Preferred name
- 2-(2-(4-(1-(2-(1,4-dioxan-2-yl)ethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
- IUPAC
- 2-[2-[4-[1-[2-(1,4-dioxan-2-yl)ethyl]indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Names & synonyms
CHEMBL385311SCHEMBL5348783JRLPSHCJZZHNLN-UHFFFAOYSA-NBDBM501568642-(2-(4-(1-(2-(1,4-dioxan-2-yl)ethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid2-(2-{4-[1-(2-[1,4]dioxan-2-yl-ethyl)-1H-indol-3-yl]-piperidin-1-yl}-ethoxy)-benzoic Acid
Database identifiers
- PubChem CID
- 10140544
- ChEMBL
CHEMBL385311
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 670
Related reactions
1 records
Compound notes
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