Basic information
- Standard SMILES
C[C@H](CN1CCOCC1)Nc1ccc(/C=C2\c3ccc(F)cc3COc3cc(F)ccc32)cc1[N+](=O)[O-]- InChIKey
JAQKCQVBCCMHJE-LLXCYVELSA-N- Molecular formula
- C28H27F2N3O4
- Average molar mass
- 507.5 g/mol
Names & identifiers
- Preferred name
- (R)-[4-((E)-3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-2-nitro-phenyl]-(1-methyl-2-morpholin-4-yl-ethyl)-amine
- IUPAC
- 4-[(E)-(3,8-difluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-2-nitroaniline
Names & synonyms
SCHEMBL2252647JAQKCQVBCCMHJE-LLXCYVELSA-N(R)-[4-((E)-3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-2-nitro-phenyl]-(1-methyl-2-morpholin-4-yl-ethyl)-amine
Database identifiers
- PubChem CID
- 57748733
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 805
Related reactions
2 records
Compound notes
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