N-methyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
Basic information
- CAS
586985-02-6- Standard SMILES
CNC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O- InChIKey
JWLNKROEAYBIJK-UHFFFAOYSA-N- Molecular formula
- C19H19N3O2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.14772686
Names & identifiers
- Preferred name
- N-methyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
- IUPAC
- N-methyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
Names & synonyms
N-methyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide586985-02-6N-methyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]propanamideMLS001196045CHEMBL1895883DTXSID801322170HMS2861L16STK878003AKOS000664876SMR000558644ST50570148N-methyl-3-(1-oxo-4-(p-tolyl)phthalazin-2(1H)-yl)propanamide
Database identifiers
- CAS
586985-02-6- PubChem CID
- 752679
- DTXSID
DTXSID801322170- ChEMBL
CHEMBL1895883
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 509
Experimental & physicochemical properties
Solubility29.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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