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

• ChemBase ID: 580382
• Molecular Formular: C18H16FN3OS
• Molecular Mass: 341.4025432
• Monoisotopic Mass: 341.09981137
• SMILES: c1(C(=O)N2CCSCC2)cn2c(nc(c2)c2ccc(cc2)F)cc1
• Canonical SMILES: Fc1ccc(cc1)c1nc2n(c1)cc(cc2)C(=O)N1CCSCC1
• InChI: InChI=1S/C18H16FN3OS/c19-15-4-1-13(2-5-15)16-12-22-11-14(3-6-17(22)20-16)18(23)21-7-9-24-10-8-21/h1-6,11-12H,7-10H2
• InChIKey: OEUMKYUKTVUCGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]thiomorpholine
• IUPAC Traditional name: 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]thiomorpholine
• Synonyms: 2-(4-fluorophenyl)-6-(thiomorpholin-4-ylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4057708
• LogD (pH = 7.4): 2.591465
• Log P: 2.5944781
• Molar Refractivity: 95.1489 cm^3
• Polarizability: 36.41516 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.7
• LOG S: -3.14
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2