3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)ethyl]propanamide

• ChemBase ID: 641668
• Molecular Formular: C18H19N5O4
• Molecular Mass: 369.37456
• Monoisotopic Mass: 369.14370411
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCn1nc(ccc1=O)c1ccccc1
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCn1nc(ccc1=O)c1ccccc1
• InChI: InChI=1S/C18H19N5O4/c24-15(8-6-14-17(26)21-18(27)20-14)19-10-11-23-16(25)9-7-13(22-23)12-4-2-1-3-5-12/h1-5,7,9,14H,6,8,10-11H2,(H,19,24)(H2,20,21,26,27)
• InChIKey: UOTZWZYBPNKETG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)ethyl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.635548
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.40587133
• LogD (pH = 7.4): -0.40832853
• Log P: -0.40583977
• Molar Refractivity: 96.6804 cm^3
• Polarizability: 36.366882 Å^3
• Polar Surface Area: 119.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -1.57
• LOG S: -1.86
• Polar Surface Area: 122.19 Å^2
• Rotatable Bonds: 7