4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

• ChemBase ID: 411142
• Molecular Formular: C17H19N5O4
• Molecular Mass: 357.36386
• Monoisotopic Mass: 357.14370411
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N(Cc2nnc(o2)CC)CC)cc1
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)N1CC(=O)NC1=O)Cc1nnc(o1)CC
• InChI: InChI=1S/C17H19N5O4/c1-3-14-19-20-15(26-14)10-21(4-2)16(24)11-5-7-12(8-6-11)22-9-13(23)18-17(22)25/h5-8H,3-4,9-10H2,1-2H3,(H,18,23,25)
• InChIKey: VTYWZPXWVNHDIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064492
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.31122282
• LogD (pH = 7.4): -0.32030168
• Log P: -0.3111057
• Molar Refractivity: 93.2736 cm^3
• Polarizability: 34.32543 Å^3
• Polar Surface Area: 108.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.42
• LOG S: -2.76
• Polar Surface Area: 108.64 Å^2
• Rotatable Bonds: 6