Basic information
- Standard SMILES
CCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1- InChIKey
UNZOGDQYMAMJKT-UHFFFAOYSA-N- Molecular formula
- C21H16Cl2N2O2
- Average molar mass
- 399.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 9-(2,5-dichlorobenzyl)-9H-beta-carboline-3-carboxylate
- IUPAC
- ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
Names & synonyms
SCHEMBL7684633UNZOGDQYMAMJKT-UHFFFAOYSA-NEthyl 9-(2,5-dichlorobenzyl)-9H-beta-carboline-3-carboxylate
Database identifiers
- PubChem CID
- 9843845
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 534
Related reactions
2 records
Compound notes
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