Basic information
- Standard SMILES
Cc1cccc(CNc2ccc3c(=O)[nH]nc(Cl)c3c2)c1C- InChIKey
FSILCWQHYRPYRO-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0981898
Names & identifiers
- Preferred name
- 4-Chloro-6-(2,3-dimethyl-benzylamino)-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[(2,3-dimethylphenyl)methylamino]-2H-phthalazin-1-one
Names & synonyms
SCHEMBL2462930FSILCWQHYRPYRO-UHFFFAOYSA-N4-Chloro-6-(2,3-dimethyl-benzylamino)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 24945978
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
3 records
Compound notes
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