Basic information
- Standard SMILES
COC(=O)COc1c(C)cc(-c2nn(C)c(=O)c3ccccc23)cc1C- InChIKey
FDJBYAHLPYLRKD-UHFFFAOYSA-N- Molecular formula
- C20H20N2O4
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.14230712
Names & identifiers
- Preferred name
- [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-phenoxy]-acetic acid methyl ester
- IUPAC
- methyl 2-[2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetate
Names & synonyms
CHEMBL33977Maybridge1_001879Oprea1_661386SCHEMBL7164707HMS546N09FDJBYAHLPYLRKD-UHFFFAOYSA-NBDBM50100086CCG-2331034-[4-(Methoxycarbonyl)methoxy-3,5-dimethyphenyl]-2-methyl-1(2 H)phthalazinone4-[4-(Methoxycarbonyl)methoxy-3,5-dimethyphenyl]-2-methyl-1(2H)phthalazinone4-[4-(Methyoxycarbonyl)methoxy-3,5-dimethyphenyl]-2-methyl-1(2H)phthalazinone[2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-phenoxy]-acetic acid methyl ester
Database identifiers
- PubChem CID
- 2800809
- ChEMBL
CHEMBL33977- Nikkaji
- J1.546.745B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Related reactions
2 records
Compound notes
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