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Basic information
- Standard SMILES
CC1c2cc(F)ccc2-c2cc(Br)ccc2N1S(=O)(=O)c1ccc(O)cc1- InChIKey
DEKJGAIAKPRIIW-UHFFFAOYSA-N- Molecular formula
- C20H15BrFNO3S
- Average molar mass
- 448.3 g/mol
- Monoisotopic mass
- 446.99401
Names & identifiers
- Preferred name
- 4-[(2-Bromo-8-fluoro-6-methylphenanthridin-5(6H)-yl)sulfonyl]phenol
- IUPAC
- 4-[(2-bromo-8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
Names & synonyms
SCHEMBL5210675DEKJGAIAKPRIIW-UHFFFAOYSA-N4-[(2-Bromo-8-fluoro-6-methylphenanthridin-5(6H)-yl)sulfonyl]phenol
Database identifiers
- PubChem CID
- 10366376
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 634
Related reactions
1 records
Compound notes
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