Basic information
- Standard SMILES
Nc1ccc2c(c1)COc1cc(Nc3ccccc3N)ccc1C2=O- InChIKey
LKHPMTWSQMXQEM-UHFFFAOYSA-N- Molecular formula
- C20H17N3O2
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 3-(2-Aminophenylamino)-8-amino-6H-dibenzo[b,e]oxepin-11-one
- IUPAC
- 8-amino-3-(2-aminoanilino)-6H-benzo[c][1]benzoxepin-11-one
Names & synonyms
SCHEMBL2315991LKHPMTWSQMXQEM-UHFFFAOYSA-N3-(2-Aminophenylamino)-8-amino-6H-dibenzo[b,e]oxepin-11-one
Database identifiers
- PubChem CID
- 45280697
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
1 records
Compound notes
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