N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-ethyl-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 816544
• Molecular Formular: C15H18FN3O3S
• Molecular Mass: 339.3851232
• Monoisotopic Mass: 339.10529067
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)N(C1CS(=O)(=O)CC1)CC
• Canonical SMILES: CCN(C(=O)c1nc2n(c1F)ccc(c2)C)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C15H18FN3O3S/c1-3-18(11-5-7-23(21,22)9-11)15(20)13-14(16)19-6-4-10(2)8-12(19)17-13/h4,6,8,11H,3,5,7,9H2,1-2H3
• InChIKey: RWRNCYABFYOQOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-ethyl-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-ethyl-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-(1,1-dioxidotetrahydro-3-thienyl)-N-ethyl-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.12509388
• LogD (pH = 7.4): 0.12517025
• Log P: 0.12517121
• Molar Refractivity: 84.9479 cm^3
• Polarizability: 32.18699 Å^3
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.26
• LOG S: -2.76
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 3