8-(2,4-Difluorophenylamino)-1-methoxy-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
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Basic information
- Standard SMILES
COc1cccc2c1CCc1cc(Nc3ccc(F)cc3F)ccc1C2=O- InChIKey
LOONNPLXFHJQBY-UHFFFAOYSA-N- Molecular formula
- C22H17F2NO2
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- 8-(2,4-Difluorophenylamino)-1-methoxy-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
- IUPAC
- 6-(2,4-difluoroanilino)-12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
Names & synonyms
CHEMBL2152965SCHEMBL2315309LOONNPLXFHJQBY-UHFFFAOYSA-NBDBM503921958-(2,4-Difluorophenylamino)-1-methoxy-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
Database identifiers
- PubChem CID
- 45280640
- ChEMBL
CHEMBL2152965
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Compound notes
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