1-(4-Bromophenyl)-2-[(phenanthridin-6-yl)sulfanyl]ethan-1-one
Basic information
- CAS
575472-57-0- Standard SMILES
O=C(CSc1nc2ccccc2c2ccccc12)c1ccc(Br)cc1- InChIKey
FTZNWVIQIJPZQY-UHFFFAOYSA-N- Molecular formula
- C21H14BrNOS
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 406.99795
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2-[(phenanthridin-6-yl)sulfanyl]ethan-1-one
- IUPAC
- 1-(4-bromophenyl)-2-phenanthridin-6-ylsulfanylethanone
Names & synonyms
575472-57-0DTXSID908499651-(4-Bromophenyl)-2-[(phenanthridin-6-yl)sulfanyl]ethan-1-one
Database identifiers
- CAS
575472-57-0- PubChem CID
- 71441014
- DTXSID
DTXSID90849965
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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