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Basic information
- Standard SMILES
O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2c(OC[C@H](O)CO)cccc21- InChIKey
WQUSMIJKIQMFBG-QGZVFWFLSA-N- Molecular formula
- C24H21F2NO4
- Average molar mass
- 425.4 g/mol
Names & identifiers
- Preferred name
- (R)-8-(2,4-Difluorophenylamino)-1-(2,3-dihydroxypropoxy)-10,11-dihydrodibenzo-[a,d]cyclohepten-5-one
- IUPAC
- 6-(2,4-difluoroanilino)-12-[(2R)-2,3-dihydroxypropoxy]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
Names & synonyms
CHEMBL2152969SCHEMBL2320856SCHEMBL30335944WQUSMIJKIQMFBG-QGZVFWFLSA-NBDBM50392198(R)-8-(2,4-Difluorophenylamino)-1-(2,3-dihydroxypropoxy)-10,11-dihydrodibenzo-[a,d]cyclohepten-5-one
Database identifiers
- PubChem CID
- 45280643
- ChEMBL
CHEMBL2152969
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 608
Related reactions
1 records
Compound notes
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