Basic information
- CAS
144169-96-0- Standard SMILES
Cc1ccc2c(c1)C(C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2- InChIKey
YWSSYWJZXZVLJS-UHFFFAOYSA-N- Molecular formula
- C28H31NO2
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.23547923
Names & identifiers
- Preferred name
- Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-methyl-
- IUPAC
- N-[2,6-di(propan-2-yl)phenyl]-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
Names & synonyms
6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-methyl-dibenz(b,e)oxepin-11-carboxamide144169-96-0Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-methyl-N-(2,6-Bis(1-methylethyl)phenyl)-2-methyl-6,11-dihydro-ibenz(b,e)oxepin-11-carboxamideRefChem:336993CHEMBL167500SCHEMBL8797272DTXSID00932251YWSSYWJZXZVLJS-UHFFFAOYSA-NBDBM500408556,11-Dihydro-N-(2,6-diisopropylphenyl)-2-methyldibenz[b,e]-oxepin-11-carboxamide2-Methyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-diisopropyl-phenyl)-amide
Show more names
N-[2,6-Di(propan-2-yl)phenyl]-2-methyl-6,11-dihydrodibenzo[b,e]oxepine-11-carboximidic acid
Database identifiers
- CAS
144169-96-0- PubChem CID
- 3072807
- ChEMBL
CHEMBL167500
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 586
Related reactions
5 records
Compound notes
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