Basic information
- Standard SMILES
COc1ccc2c(c1)OC(CNCCCc1c[nH]c3ccc(O)cc13)CO2- InChIKey
RSBYSLKMCCIIQB-UHFFFAOYSA-N- Molecular formula
- C21H24N2O4
- Average molar mass
- 368.4 g/mol
Names & identifiers
- Preferred name
- 3-{3-[(7-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-propyl}-1H-indol-5-ol
- IUPAC
- 3-[3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]propyl]-1H-indol-5-ol
Names & synonyms
SCHEMBL7817265RSBYSLKMCCIIQB-UHFFFAOYSA-N3-{3-[(7-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-propyl}-1H-indol-5-ol
Database identifiers
- PubChem CID
- 18923909
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 465
Related reactions
1 records
Compound notes
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