6-(Phenylamino)-5h-dibenzo[c,e]azepine-5,7(6h)-dione
Basic information
- CAS
25731-54-8- Standard SMILES
O=c1c2ccccc2c2ccccc2c(=O)n1Nc1ccccc1- InChIKey
XMDPDSCCCGQQTE-UHFFFAOYSA-N- Molecular formula
- C20H14N2O2
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.10552769
Names & identifiers
- Preferred name
- 6-(Phenylamino)-5h-dibenzo[c,e]azepine-5,7(6h)-dione
- IUPAC
- 6-anilinobenzo[d][2]benzazepine-5,7-dione
Names & synonyms
MLS00292014325731-54-86-(phenylamino)-5h-dibenzo[c,e]azepine-5,7(6h)-dioneNSC132240CHEMBL2144634DTXSID10299701NSC-132240SMR0017977406-Anilino-5H-dibenzo[c,e]azepine-5,7(6H)-dione
Database identifiers
- CAS
25731-54-8- PubChem CID
- 280496
- DTXSID
DTXSID10299701- ChEMBL
CHEMBL2144634
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
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Compound notes
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