6-(4-Ethoxyphenyl)benzo[d][2]benzazepine-5,7-dione
Basic information
- CAS
124214-25-1- Standard SMILES
CCOc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1- InChIKey
QFPVPSVXDPDUOR-UHFFFAOYSA-N- Molecular formula
- C22H17NO3
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.1208434
Names & identifiers
- Preferred name
- 6-(4-Ethoxyphenyl)benzo[d][2]benzazepine-5,7-dione
- IUPAC
- 6-(4-ethoxyphenyl)benzo[d][2]benzazepine-5,7-dione
Names & synonyms
124214-25-16-(4-ethoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione6-(4-ethoxyphenyl)benzo[d][2]benzazepine-5,7-dione9-(4-ethoxyphenyl)-9-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dioneOprea1_339684Oprea1_705890MLS001029511CHEMBL1481851DTXSID601323653HMS2808E05STK834730AKOS002705777
Show more names
SMR000425473ST451024146-(4-ethoxyphenyl)dibenzo[c,e]azepine-5,7-dioneSR-01000490989SR-01000490989-16-(4-Ethoxy-phenyl)-dibenzo[c,e]azepine-5,7-dioneF0555-0092
Database identifiers
- CAS
124214-25-1- PubChem CID
- 845690
- DTXSID
DTXSID601323653- ChEMBL
CHEMBL1481851
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 491
Experimental & physicochemical properties
Solubility18 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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