4-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-2-(2-phenylethyl)morpholine

• ChemBase ID: 510388
• Molecular Formular: C20H20ClN3O2
• Molecular Mass: 369.8447
• Monoisotopic Mass: 369.12440458
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N1CC(OCC1)CCc1ccccc1
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(=O)N1CCOC(C1)CCc1ccccc1
• InChI: InChI=1S/C20H20ClN3O2/c21-16-7-9-19-22-18(14-24(19)12-16)20(25)23-10-11-26-17(13-23)8-6-15-4-2-1-3-5-15/h1-5,7,9,12,14,17H,6,8,10-11,13H2
• InChIKey: UYDGMLIQOJUZGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-2-(2-phenylethyl)morpholine
• IUPAC Traditional name: 4-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-2-(2-phenylethyl)morpholine
• Synonyms: 6-chloro-2-{[2-(2-phenylethyl)-4-morpholinyl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3421907
• LogD (pH = 7.4): 3.346353
• Log P: 3.3464065
• Molar Refractivity: 101.9543 cm^3
• Polarizability: 38.544342 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.65
• LOG S: -4.16
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4