Basic information
- Standard SMILES
O=c1[nH]nc(Cl)c2cc(NCc3cccc(CN4CCCCC4)c3)ccc12- InChIKey
YPJPVKTTYBKPLV-UHFFFAOYSA-N- Molecular formula
- C21H23ClN4O
- Average molar mass
- 382.9 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-6-(3-piperidin-1-ylmethyl-benzylamino)-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[[3-(piperidin-1-ylmethyl)phenyl]methylamino]-2H-phthalazin-1-one
Names & synonyms
SCHEMBL2460110YPJPVKTTYBKPLV-UHFFFAOYSA-N4-Chloro-6-(3-piperidin-1-ylmethyl-benzylamino)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 58447352
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
Related reactions
3 records
Compound notes
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