Basic information
- Standard SMILES
COc1cccc2c1OC(CN1CC=C(c3c[nH]c4cc(F)ccc34)CC1)CO2- InChIKey
BZPDQIRVQQZYGG-UHFFFAOYSA-N- Molecular formula
- C23H23FN2O3
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.16927076
Names & identifiers
- Preferred name
- 6-Fluoro-3-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-1H-indole
- IUPAC
- 6-fluoro-3-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
Names & synonyms
SCHEMBL5845217BZPDQIRVQQZYGG-UHFFFAOYSA-N6-Fluoro-3-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-1H-indole6-Fluoro-3-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1,2,3,6-tetrahydro-pyridin4-yl]-1H-indole
Database identifiers
- PubChem CID
- 10271950
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 603
Related reactions
2 records
Compound notes
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