N-ethyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
Basic information
- CAS
843618-14-4- Standard SMILES
CCNC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O- InChIKey
RVXFVBGNYVYCSF-UHFFFAOYSA-N- Molecular formula
- C20H21N3O2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.16337692
Names & identifiers
- Preferred name
- N-ethyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
- IUPAC
- N-ethyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
Names & synonyms
N-ethyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamideN-ethyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]propanamide843618-14-4MLS001196069CHEMBL1373482DTXSID201322172HMS2856F13STK878004AKOS000664908SMR000558646EU-0049707ST50370054
Show more names
SR-01000113237SR-01000113237-1N-ethyl-3-(1-oxo-4-(p-tolyl)phthalazin-2(1H)-yl)propanamide
Database identifiers
- CAS
843618-14-4- PubChem CID
- 752680
- DTXSID
DTXSID201322172- ChEMBL
CHEMBL1373482
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 523
Experimental & physicochemical properties
Solubility39.8 [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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