Basic information
- Standard SMILES
CCOC(OCC)c1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2ccc(F)cc2)cc1- InChIKey
UZKJYKVFHKLBAJ-UHFFFAOYSA-N- Molecular formula
- C27H26FN3O3
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.19581986
Names & identifiers
- Preferred name
- 8-(4-(Diethoxymethyl)phenyl)-9-(4-fluorophenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
- IUPAC
- 11-[4-(diethoxymethyl)phenyl]-12-(4-fluorophenyl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
Names & synonyms
SCHEMBL2378524UZKJYKVFHKLBAJ-UHFFFAOYSA-N8-(4-(Diethoxymethyl)phenyl)-9-(4-fluorophenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
Database identifiers
- PubChem CID
- 136374666
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 727
Related reactions
7 records
Compound notes
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