N-(1,1-dioxo-2,3-dihydro-1λ6-thiophen-3-yl)-3-{imidazo[1,2-a]pyridin-2-yl}propanamide

• ChemBase ID: 741074
• Molecular Formular: C14H15N3O3S
• Molecular Mass: 305.3522
• Monoisotopic Mass: 305.08341236
• SMILES: S1(=O)(=O)CC(C=C1)NC(=O)CCc1nc2n(c1)cccc2
• Canonical SMILES: O=C(NC1C=CS(=O)(=O)C1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C14H15N3O3S/c18-14(16-12-6-8-21(19,20)10-12)5-4-11-9-17-7-2-1-3-13(17)15-11/h1-3,6-9,12H,4-5,10H2,(H,16,18)
• InChIKey: ONBYLMVEBXBKQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.5349245
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5106146
• LogD (pH = 7.4): -0.7986082
• Log P: -0.7712358
• Molar Refractivity: 78.6012 cm^3
• Polarizability: 30.631426 Å^3
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.64
• LOG S: -2.19
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 4