4-{[5-(oxolan-3-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-2-propyl-1,3-thiazole

• ChemBase ID: 627663
• Molecular Formular: C20H23N3OS
• Molecular Mass: 353.48112
• Monoisotopic Mass: 353.15618337
• SMILES: n1(c(c(nc1)c1ccccc1)C1COCC1)Cc1nc(sc1)CCC
• Canonical SMILES: CCCc1scc(n1)Cn1cnc(c1C1COCC1)c1ccccc1
• InChI: InChI=1S/C20H23N3OS/c1-2-6-18-22-17(13-25-18)11-23-14-21-19(15-7-4-3-5-8-15)20(23)16-9-10-24-12-16/h3-5,7-8,13-14,16H,2,6,9-12H2,1H3
• InChIKey: QJVDBIMKXQSFGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[5-(oxolan-3-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-2-propyl-1,3-thiazole
• IUPAC Traditional name: 4-{[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl}-2-propyl-1,3-thiazole
• Synonyms: 4-{[4-phenyl-5-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]methyl}-2-propyl-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2669451
• LogD (pH = 7.4): 3.6946752
• Log P: 3.705963
• Molar Refractivity: 100.6359 cm^3
• Polarizability: 39.91049 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.4
• LOG S: -4.68
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 6