Basic information
- Standard SMILES
O=C(NOCc1ccccc1)c1cc2c3ccccc3n(Cc3c(F)ccc(Cl)c3F)c2cn1- InChIKey
MAESRZMPMZONBX-UHFFFAOYSA-N- Molecular formula
- C26H18ClF2N3O2
- Average molar mass
- 477.9 g/mol
- Monoisotopic mass
- 477.1055608
Names & identifiers
- Preferred name
- N-(Benzyloxy)-9-(3-chloro-2,6-difluorobenzyl)-9H-beta-carboline-3-carboxamide
- IUPAC
- 9-[(3-chloro-2,6-difluorophenyl)methyl]-N-phenylmethoxypyrido[3,4-b]indole-3-carboxamide
Names & synonyms
SCHEMBL5849421MAESRZMPMZONBX-UHFFFAOYSA-NN-(Benzyloxy)-9-(3-chloro-2,6-difluorobenzyl)-9H-beta-carboline-3-carboxamide
Database identifiers
- PubChem CID
- 10322808
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 697
Related reactions
3 records
Compound notes
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