Basic information
- Standard SMILES
O=c1[nH]nc(Cl)c2cc(NCc3cc(C(F)(F)F)ccc3F)ccc12- InChIKey
AFGHNTKABWMRES-UHFFFAOYSA-N- Molecular formula
- C16H10ClF4N3O
- Average molar mass
- 371.71 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-6-(2-fluoro-5-trifluoromethyl-benzylamino)-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2H-phthalazin-1-one
Names & synonyms
4-Chloro-6-(2-fluoro-5-trifluoromethyl-benzylamino)-2H-phthalazin-1-oneSCHEMBL2462423
Database identifiers
- PubChem CID
- 58447231
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Related reactions
3 records
Compound notes
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