Basic information
- Standard SMILES
CN1CC(c2ccccc2)Oc2nc(Nc3ccc(-n4ccnc4)cc3)ccc2C1=O- InChIKey
JBEZQTSKKGTJIO-UHFFFAOYSA-N- Molecular formula
- C24H21N5O2
- Average molar mass
- 411.5 g/mol
Names & identifiers
- Preferred name
- 8-(4-Imidazol-1-ylanilino)-4-methyl-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
- IUPAC
- 8-(4-imidazol-1-ylanilino)-4-methyl-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
Names & synonyms
SCHEMBL3749574
Database identifiers
- PubChem CID
- 49820235
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
Related reactions
1 records
Linked notes
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