Basic information
- Standard SMILES
CC(=O)Nc1ccc2c(Cc3ccncc3)nnc(Nc3cccc(Cl)c3)c2c1.Cl- InChIKey
JZBPISYOAPTVNS-UHFFFAOYSA-N- Molecular formula
- C22H19Cl2N5O
- Average molar mass
- 440.3 g/mol
Names & identifiers
- Preferred name
- 7-Acetamino-1-(3-chloroanilino)-4-(4-pyridylmethyl)phthalazine hydrochloride
- IUPAC
- N-[4-(3-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide;hydrochloride
Names & synonyms
SCHEMBL6606778JZBPISYOAPTVNS-UHFFFAOYSA-N7-Acetamino-1-(3-chloroanilino)-4-(4-pyridylmethyl)phthalazine hydrochloride
Database identifiers
- PubChem CID
- 22742013
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 543
Related reactions
3 records
Compound notes
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