[2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate
Basic information
- CAS
694467-05-5- Standard SMILES
CC(=O)OCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C- InChIKey
GZFYBBJJVRGRFR-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.13174244
Names & identifiers
- Preferred name
- [2-Methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate
- IUPAC
- [2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate
Names & synonyms
[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl acetate694467-05-52-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl acetate[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl acetateChemDiv2_004400MLS000765741CHEMBL1710400DTXSID701320783HMS1381H22HMS2678B20STK877988AKOS000665093
Show more names
IDI1_003115SMR000278847ST50370216VU0048168-1
Database identifiers
- CAS
694467-05-5- PubChem CID
- 752669
- DTXSID
DTXSID701320783- ChEMBL
CHEMBL1710400
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 531
Experimental & physicochemical properties
Solubility1.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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