Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate
Basic information
- CAS
152567-95-8- Standard SMILES
CCOC(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1- InChIKey
RJOUBGFUZVHYNA-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.10044231
Names & identifiers
- Preferred name
- Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate
- IUPAC
- ethyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate
Names & synonyms
152567-95-8Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoateRefChem:343688ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoateSMR000024135Oprea1_493724Oprea1_788344MLS000088515CHEMBL1608290DTXSID501229197HMS2485J14STK088910
Show more names
AKOS005394239WAY-307277EU-0072402SR-01000441393SR-01000441393-1
Database identifiers
- CAS
152567-95-8- PubChem CID
- 762086
- DTXSID
DTXSID501229197- ChEMBL
CHEMBL1608290
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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