4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

• ChemBase ID: 527677
• Molecular Formular: C15H16N4O5
• Molecular Mass: 332.31134
• Monoisotopic Mass: 332.11206963
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCN2C(=O)OCC2)cc1
• Canonical SMILES: O=C1CN(C(=O)N1)c1ccc(cc1)C(=O)NCCN1CCOC1=O
• InChI: InChI=1S/C15H16N4O5/c20-12-9-19(14(22)17-12)11-3-1-10(2-4-11)13(21)16-5-6-18-7-8-24-15(18)23/h1-4H,5-9H2,(H,16,21)(H,17,20,22)
• InChIKey: SUTGBNZDWIOBMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8010817
• LogD (pH = 7.4): -0.81016046
• Log P: -0.80096453
• Molar Refractivity: 81.6404 cm^3
• Polarizability: 30.92597 Å^3
• Polar Surface Area: 108.05 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: -1.05
• LOG S: -2.04
• Polar Surface Area: 108.05 Å^2
• Rotatable Bonds: 5