Basic information
- Standard SMILES
Nc1ccc2c(c1)COc1cc(Nc3ccc(C(F)(F)F)cc3N)ccc1C2=O- InChIKey
MLCFRGHJTYHLTE-UHFFFAOYSA-N- Molecular formula
- C21H16F3N3O2
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- 8-Amino-3-(2-amino-4-trifluoromethylphenylamino)-6H-dibenzo[b,e]oxepin-11-one
- IUPAC
- 8-amino-3-[2-amino-4-(trifluoromethyl)anilino]-6H-benzo[c][1]benzoxepin-11-one
Names & synonyms
8-Amino-3-(2-amino-4-trifluoromethylphenylamino)-6H-dibenzo[b,e]oxepin-11-oneSCHEMBL2312511
Database identifiers
- PubChem CID
- 45280745
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 602
Related reactions
1 records
Compound notes
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