Isopropyl 9-(2,5-dichlorobenzyl)-9H-beta-carboline-3-carboxylate
Basic information
- Standard SMILES
CC(C)OC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1- InChIKey
VQDFVPCSVBJMFW-UHFFFAOYSA-N- Molecular formula
- C22H18Cl2N2O2
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 412.0745332
Names & identifiers
- Preferred name
- Isopropyl 9-(2,5-dichlorobenzyl)-9H-beta-carboline-3-carboxylate
- IUPAC
- propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
Names & synonyms
SCHEMBL7684419VQDFVPCSVBJMFW-UHFFFAOYSA-NIsopropyl 9-(2,5-dichlorobenzyl)-9H-beta-carboline-3-carboxylate
Database identifiers
- PubChem CID
- 9823014
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
2 records
Compound notes
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