Basic information
- CAS
144170-12-7- Standard SMILES
CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2ccc(C(F)(F)F)cc21- InChIKey
DICGWXUOYQBIMK-UHFFFAOYSA-N- Molecular formula
- C28H28F3NO2
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.20721362
Names & identifiers
- Preferred name
- Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-(trifluoromethyl)-
- IUPAC
- N-[2,6-di(propan-2-yl)phenyl]-2-(trifluoromethyl)-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
Names & synonyms
6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-trifluoromethyl-dibenz(b,e)oxepin-11-carboxamide144170-12-7Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-(trifluoromethyl)-RefChem:336989CHEMBL354290SCHEMBL8797861DTXSID00932256DICGWXUOYQBIMK-UHFFFAOYSA-NBDBM500408332-Trifluoromethyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-diisopropyl-phenyl)-amideN-[2,6-Di(propan-2-yl)phenyl]-2-(trifluoromethyl)-6,11-dihydrodibenzo[b,e]oxepine-11-carboximidic acid
Database identifiers
- CAS
144170-12-7- PubChem CID
- 3072811
- DTXSID
DTXSID00932256- ChEMBL
CHEMBL354290- Nikkaji
- J581.058B
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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