Basic information
- CAS
7038-54-2- Standard SMILES
CC(C)(C)c1cc(C(=Nc2ccccc2)NN=Cc2ccc(Br)cc2)cc(C(C)(C)C)c1O- InChIKey
ZGOQRRMOURUQMP-UHFFFAOYSA-N- Molecular formula
- C28H32BrN3O
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 505.17288
Names & identifiers
- Preferred name
- 4-(Anilino{2-[(4-bromophenyl)methylidene]hydrazinyl}methylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
- IUPAC
- N-[(4-bromophenyl)methylideneamino]-3,5-ditert-butyl-4-hydroxy-N'-phenylbenzenecarboximidamide
Names & synonyms
7038-54-2DTXSID104257804-(Anilino{2-[(4-bromophenyl)methylidene]hydrazinyl}methylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one4-(Anilino{2-[(4-bromophenyl)methylidene]hydrazin-1-yl}methylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
Database identifiers
- CAS
7038-54-2- PubChem CID
- 5229980
- DTXSID
DTXSID10425780
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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