Basic information
- CAS
126681-75-2- Standard SMILES
O=C1C=C(c2ccc(Br)cc2)OC1=NC12CC3CC(CC(C3)C1)C2- InChIKey
DYNSKYLMYUWRBT-UHFFFAOYSA-N- Molecular formula
- C20H20BrNO2
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 385.06774
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-3(2H)-furanone
- IUPAC
- 2-(1-adamantylimino)-5-(4-bromophenyl)furan-3-one
Names & synonyms
BRN 42040165-(4-Bromophenyl)-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-3(2H)-furanone3(2H)-Furanone, 5-(4-bromophenyl)-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-126681-75-2CHEMBL4446398
Database identifiers
- CAS
126681-75-2- PubChem CID
- 3079909
- ChEMBL
CHEMBL4446398
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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