Basic information
- Standard SMILES
Cc1cc(F)ccc1-c1nncc2cc(Sc3cccc(F)c3)ccc12- InChIKey
AKEIRCTZJSTTFQ-UHFFFAOYSA-N- Molecular formula
- C21H14F2N2S
- Average molar mass
- 364.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Fluoro-2-methylphenyl)-6-(3-fluorophenylthio)phthalazine
- IUPAC
- 1-(4-fluoro-2-methylphenyl)-6-(3-fluorophenyl)sulfanylphthalazine
Names & synonyms
SCHEMBL599879AKEIRCTZJSTTFQ-UHFFFAOYSA-N1-(4-Fluoro-2-methylphenyl)-6-(3-fluorophenylthio)phthalazine
Database identifiers
- PubChem CID
- 45280241
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Related reactions
2 records
Compound notes
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