Basic information
- Standard SMILES
CC(=O)N1CC(COc2ccc(-c3cc4c(C=O)c[nH]c4cc3Cl)cc2)C1- InChIKey
WSARCBJTGAZZHB-UHFFFAOYSA-N- Molecular formula
- C21H19ClN2O3
- Average molar mass
- 382.8 g/mol
- Monoisotopic mass
- 382.1084202
Names & identifiers
- Preferred name
- 5-{4-[(1-acetylazetidin-3-yl)methoxy]phenyl}-6-chloro-1H-indole-3-carbaldehyde
- IUPAC
- 5-[4-[(1-acetylazetidin-3-yl)methoxy]phenyl]-6-chloro-1H-indole-3-carbaldehyde
Names & synonyms
SCHEMBL15300681WSARCBJTGAZZHB-UHFFFAOYSA-N5-{4-[(1-acetylazetidin-3-yl)methoxy]phenyl}-6-chloro-1H-indole-3-carbaldehyde
Database identifiers
- PubChem CID
- 86698587
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Related reactions
4 records
Compound notes
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