N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methylacetamide

• ChemBase ID: 658909
• Molecular Formular: C15H17N5O4
• Molecular Mass: 331.32658
• Monoisotopic Mass: 331.12805405
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1cc2c(non2)cc1)C)C)C
• Canonical SMILES: O=C(N(Cc1ccc2c(c1)non2)C)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C15H17N5O4/c1-18(8-9-4-5-10-11(6-9)17-24-16-10)13(21)7-12-14(22)20(3)15(23)19(12)2/h4-6,12H,7-8H2,1-3H3
• InChIKey: RIAMOKWFIJULRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
• IUPAC Traditional name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
• Synonyms: N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.183075
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.3610107
• LogD (pH = 7.4): -0.36101076
• Log P: -0.36101067
• Molar Refractivity: 83.6738 cm^3
• Polarizability: 32.522545 Å^3
• Polar Surface Area: 99.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.04
• LOG S: -2.04
• Polar Surface Area: 99.85 Å^2
• Rotatable Bonds: 4