Basic information
- Standard SMILES
CCOc1cc2cc(CO)cc(-c3ccnc(-n4nc(-c5ccc(Cl)cc5)c5ccccc5c4=O)c3)c2cc1OCC- InChIKey
ANMFBGBXWAASAJ-UHFFFAOYSA-N- Molecular formula
- C34H28ClN3O4
- Average molar mass
- 578.1 g/mol
- Monoisotopic mass
- 577.1768341
Names & identifiers
- Preferred name
- 1-[2-{4-(4-chlorophenyl)-1(2H)-phthalazinon-2-yl}-4-pyridyl]-3-hydroxymethyl-6,7-diethoxynaphthalene
- IUPAC
- 4-(4-chlorophenyl)-2-[4-[6,7-diethoxy-3-(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]phthalazin-1-one
Names & synonyms
SCHEMBL7749381ANMFBGBXWAASAJ-UHFFFAOYSA-N1-[2-{4-(4-chlorophenyl)-1(2H)-phthalazinon-2-yl}-4-pyridyl]-3-hydroxymethyl-6,7-diethoxynaphthalene
Database identifiers
- PubChem CID
- 22007338
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 942
Related reactions
3 records
Compound notes
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