Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-fluoro-
Basic information
- CAS
144170-08-1- Standard SMILES
CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2ccc(F)cc21- InChIKey
RWLUEHGGPAVAAQ-UHFFFAOYSA-N- Molecular formula
- C27H28FNO2
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.2104073
Names & identifiers
- Preferred name
- Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-fluoro-
- IUPAC
- N-[2,6-di(propan-2-yl)phenyl]-2-fluoro-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
Names & synonyms
2-Fluoro-6,11-dihydro-N-(2,6-diisopropylphenyl)dibenz(b,e)oxepin-11-carboxamide144170-08-1Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-fluoro-N-(2,6-Bis(1-methylethyl)phenyl)-2-fluoro-6,11-dihydro-ibenz(b,e)oxepin-11-carboxamideRefChem:336992CHEMBL353958SCHEMBL8797024DTXSID20932253BDBM500408102-Fluoro-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-diisopropyl-phenyl)-amideN-[2,6-Di(propan-2-yl)phenyl]-2-fluoro-6,11-dihydrodibenzo[b,e]oxepine-11-carboximidic acid
Database identifiers
- CAS
144170-08-1- PubChem CID
- 3072809
- DTXSID
DTXSID20932253- ChEMBL
CHEMBL353958- Nikkaji
- J581.054J
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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