Basic information
- Standard SMILES
O=C(O)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1- InChIKey
GHEFUUJZKGBKLM-UHFFFAOYSA-N- Molecular formula
- C22H20FN3O4
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.14378429
Names & identifiers
- Preferred name
- 1-[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid
- IUPAC
- 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperidine-4-carboxylic acid
Names & synonyms
SCHEMBL1689371GHEFUUJZKGBKLM-UHFFFAOYSA-N1-[2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid
Database identifiers
- PubChem CID
- 59833504
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 719
Related reactions
5 records
Compound notes
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