Basic information
- Standard SMILES
O=C(NC1CCCN2c3cc(Cl)ccc3Oc3ccccc3C12)C(F)(F)F- InChIKey
JNJFNFCZHXIGJI-UHFFFAOYSA-N- Molecular formula
- C19H16ClF3N2O2
- Average molar mass
- 396.8 g/mol
- Monoisotopic mass
- 396.0852399
Names & identifiers
- Preferred name
- N-(18-chloro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl)-2,2,2-trifluoroacetamide
- IUPAC
- N-(18-chloro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl)-2,2,2-trifluoroacetamide
Names & synonyms
CHEMBL403486SCHEMBL3520128BDBM50233014(rac)-N-(6-chloro-1,3,4,13b-tetrahydro-2H-9-oxa-4a-aza-tribenzo[a,c,e]cyclohepten-1-yl)-2,2,2-trifluoro-acetamide
Database identifiers
- PubChem CID
- 44446541
- ChEMBL
CHEMBL403486
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Related reactions
5 records
Compound notes
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