2-(7,8-dimethoxy-1-oxo-1,2-dihydrophthalazin-2-yl)-N-(3-methoxyphenyl)acetamide

• ChemBase ID: 222041
• Molecular Formular: C19H19N3O5
• Molecular Mass: 369.37126
• Monoisotopic Mass: 369.13247072
• SMILES: n1(c(=O)c2c(c(ccc2cn1)OC)OC)CC(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)Cn1ncc2c(c1=O)c(OC)c(cc2)OC
• InChI: InChI=1S/C19H19N3O5/c1-25-14-6-4-5-13(9-14)21-16(23)11-22-19(24)17-12(10-20-22)7-8-15(26-2)18(17)27-3/h4-10H,11H2,1-3H3,(H,21,23)
• InChIKey: YECDWWFVNHRPLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7,8-dimethoxy-1-oxo-1,2-dihydrophthalazin-2-yl)-N-(3-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-(3-methoxyphenyl)acetamide

Database IDs

• PubChem SID: 164277951
• PubChem CID: 39377583

CALCULATED PROPERTIES

• Acid pKa: 11.675915
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6528361
• LogD (pH = 7.4): 1.6528134
• Log P: 1.6528364
• Molar Refractivity: 100.8257 cm^3
• Polarizability: 37.075375 Å^3
• Polar Surface Area: 89.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds