N-(1,1-dioxo-2,3-dihydro-1λ6-thiophen-3-yl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 501647
• Molecular Formular: C14H15N3O3S
• Molecular Mass: 305.3522
• Monoisotopic Mass: 305.08341236
• SMILES: S1(=O)(=O)CC(C=C1)NC(=O)Cc1n2c(nc1)c(ccc2)C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NC1C=CS(=O)(=O)C1
• InChI: InChI=1S/C14H15N3O3S/c1-10-3-2-5-17-12(8-15-14(10)17)7-13(18)16-11-4-6-21(19,20)9-11/h2-6,8,11H,7,9H2,1H3,(H,16,18)
• InChIKey: TVOCHYQSXJZRCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-2,3-dihydro-1λ^6-thiophen-3-yl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-(1,1-dioxo-2,3-dihydro-1λ^6-thiophen-3-yl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.320401
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4506048
• LogD (pH = 7.4): -0.70760345
• Log P: -0.6562979
• Molar Refractivity: 79.3427 cm^3
• Polarizability: 30.555714 Å^3
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.7
• LOG S: -2.14
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 3