N-[2-(1H-imidazol-4-yl)ethyl]-2-(1-oxo-1,2-dihydrophthalazin-2-yl)acetamide

• ChemBase ID: 674030
• Molecular Formular: C15H15N5O2
• Molecular Mass: 297.3119
• Monoisotopic Mass: 297.12257475
• SMILES: n1(c(=O)c2c(cn1)cccc2)CC(=O)NCCc1nc[nH]c1
• Canonical SMILES: O=C(Cn1ncc2c(c1=O)cccc2)NCCc1c[nH]cn1
• InChI: InChI=1S/C15H15N5O2/c21-14(17-6-5-12-8-16-10-18-12)9-20-15(22)13-4-2-1-3-11(13)7-19-20/h1-4,7-8,10H,5-6,9H2,(H,16,18)(H,17,21)
• InChIKey: RNENFPMOBBISHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-imidazol-4-yl)ethyl]-2-(1-oxo-1,2-dihydrophthalazin-2-yl)acetamide
• IUPAC Traditional name: N-[2-(1H-imidazol-4-yl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
• Synonyms: N-[2-(1H-imidazol-4-yl)ethyl]-2-(1-oxophthalazin-2(1H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.092598
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7563305
• LogD (pH = 7.4): -0.019257408
• Log P: 0.032769475
• Molar Refractivity: 81.6223 cm^3
• Polarizability: 30.007862 Å^3
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.72
• LOG S: -2.06
• Polar Surface Area: 92.67 Å^2
• Rotatable Bonds: 5