Ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
Basic information
- CAS
296876-23-8- Standard SMILES
CCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O- InChIKey
YRMMNFZTLRYVJP-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609238
Names & identifiers
- Preferred name
- Ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
- IUPAC
- ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
- English name
- Ethyl 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetate
- Molecular formula
- C18H16N2O3
- Molecular weight
- 308.33
Names & synonyms
296876-23-8ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetateDTXSID10351318RefChem:342345DTXCID50302384126081-03-6ETHYL 2-(1-OXO-4-PHENYLPHTHALAZIN-2(1H)-YL)ACETATEethyl (1-oxo-4-phenyl-2(1H)-phthalazinyl)acetateethyl (1-oxo-4-phenylphthalazin-2(1H)-yl)acetateCBMicro_014951Oprea1_698168MLS000532324
Show more names
SALOR-INT L449067-1EA1(2H)-Phthalazinone, 2-[2-(acetyloxy)ethyl]-4-phenyl-
CHEMBL16079762-Carbethoxymethyl-4-phenyl-1,2-dihydro-1-oxo-phthalazineHMS1610L21HMS2470F08SMSF0005323STK397106AKOS001619944CB14922
Database identifiers
- CAS
296876-23-8- PubChem CID
- 697435
- DTXSID
DTXSID10351318- ChEMBL
CHEMBL1607976
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Boiling point
- 478.8 · 478.8±47.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- -1.94 · -1.94±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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