Basic information
- Standard SMILES
COc1ccc(CNc2nnc(N3CCC[C@@H](O)C3)c3ccc(C#N)cc23)cc1Cl.Cl- InChIKey
UKRIZQPPIBKIHZ-PKLMIRHRSA-N- Molecular formula
- C22H23Cl2N5O2
- Average molar mass
- 460.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chloro-4-methoxybenzyl)amino-6-cyano-1-[(3R)-3-hydroxypiperidino]phthalazine hydrochloride
- IUPAC
- 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[(3R)-3-hydroxypiperidin-1-yl]phthalazine-6-carbonitrile;hydrochloride
Names & synonyms
SCHEMBL6773871UKRIZQPPIBKIHZ-PKLMIRHRSA-N4-(3-Chloro-4-methoxybenzyl)amino-6-cyano-1-[(3R)-3-hydroxypiperidino]phthalazine hydrochloride
Database identifiers
- PubChem CID
- 69892248
Properties
Computed structural properties
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 616
Related reactions
2 records
Compound notes
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