Basic information
- Standard SMILES
CCOC(=O)c1cc2c3ccccc3n(Cc3c(F)ccc(Cl)c3F)c2cn1- InChIKey
KYTPORDYEXOFPH-UHFFFAOYSA-N- Molecular formula
- C21H15ClF2N2O2
- Average molar mass
- 400.8 g/mol
Names & identifiers
- Preferred name
- Ethyl 9-(3-chloro-2,6-difluorobenzyl)-9H-beta-carboline-3-carboxylate
- IUPAC
- ethyl 9-[(3-chloro-2,6-difluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
Names & synonyms
SCHEMBL5849296KYTPORDYEXOFPH-UHFFFAOYSA-NEthyl 9-(3-chloro-2,6-difluorobenzyl)-9H-beta-carboline-3-carboxylate
Database identifiers
- PubChem CID
- 21883401
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
Related reactions
3 records
Compound notes
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