2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(1-oxo-1,2-dihydrophthalazin-2-yl)ethyl]acetamide

• ChemBase ID: 381562
• Molecular Formular: C15H15N5O4
• Molecular Mass: 329.3107
• Monoisotopic Mass: 329.11240399
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCn1c(=O)c2c(cn1)cccc2
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCn1ncc2c(c1=O)cccc2
• InChI: InChI=1S/C15H15N5O4/c21-12(9-19-13(22)8-17-15(19)24)16-5-6-20-14(23)11-4-2-1-3-10(11)7-18-20/h1-4,7H,5-6,8-9H2,(H,16,21)(H,17,24)
• InChIKey: ZUOVGZBGKHHOAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(1-oxo-1,2-dihydrophthalazin-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[2-(1-oxo-2(1H)-phthalazinyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.661941
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2897879
• LogD (pH = 7.4): -1.2898111
• Log P: -1.2897877
• Molar Refractivity: 83.8515 cm^3
• Polarizability: 30.934021 Å^3
• Polar Surface Area: 111.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.71
• LOG S: -1.45
• Polar Surface Area: 113.4 Å^2
• Rotatable Bonds: 5