2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(pyridin-2-ylsulfanyl)ethyl]acetamide

• ChemBase ID: 499163
• Molecular Formular: C14H18N4O3S
• Molecular Mass: 322.38272
• Monoisotopic Mass: 322.10996146
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCCSc1ncccc1)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCCSc1ccccn1
• InChI: InChI=1S/C14H18N4O3S/c1-17-10(13(20)18(2)14(17)21)9-11(19)15-7-8-22-12-5-3-4-6-16-12/h3-6,10H,7-9H2,1-2H3,(H,15,19)
• InChIKey: DMBMEPIZBKWPPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(pyridin-2-ylsulfanyl)ethyl]acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(pyridin-2-ylsulfanyl)ethyl]acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(pyridin-2-ylthio)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.168584
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.115715995
• LogD (pH = 7.4): -0.11219009
• Log P: -0.112144865
• Molar Refractivity: 83.2954 cm^3
• Polarizability: 32.0313 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.09
• LOG S: -1.93
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 6