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Basic information
- Standard SMILES
O=Cc1c(N2CCCNCC2)n(-c2ccccc2)c2ccccc12- InChIKey
WLEBZVDZKNJJRS-UHFFFAOYSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 2-[1,4]diazepan-1-yl-1-phenyl-1H-indole-3-carboxaldehyde
- IUPAC
- 2-(1,4-diazepan-1-yl)-1-phenylindole-3-carbaldehyde
Names & synonyms
SCHEMBL2345055WLEBZVDZKNJJRS-UHFFFAOYSA-N2-[1,4]diazepan-1-yl-1-phenyl-1H-indole-3-carboxaldehyde
Database identifiers
- PubChem CID
- 59754751
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
5 records
Compound notes
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