4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]-1λ6-thiomorpholine-1,1-dione

• ChemBase ID: 691957
• Molecular Formular: C18H16FN3O3S
• Molecular Mass: 373.4013432
• Monoisotopic Mass: 373.08964061
• SMILES: S1(=O)(=O)CCN(C(=O)c2cn3c(nc(c3)c3ccc(cc3)F)cc2)CC1
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)N1CCS(=O)(=O)CC1
• InChI: InChI=1S/C18H16FN3O3S/c19-15-4-1-13(2-5-15)16-12-22-11-14(3-6-17(22)20-16)18(23)21-7-9-26(24,25)10-8-21/h1-6,11-12H,7-10H2
• InChIKey: BLWXTIUSFGVZHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]-1λ^6-thiomorpholine-1,1-dione
• IUPAC Traditional name: 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]-1λ^6-thiomorpholine-1,1-dione
• Synonyms: 6-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.70507514
• LogD (pH = 7.4): 0.8906652
• Log P: 0.8936763
• Molar Refractivity: 95.3906 cm^3
• Polarizability: 37.56639 Å^3
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.01
• LOG S: -3.22
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 2