4-{1-[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]butan-2-yl}morpholine

• ChemBase ID: 552938
• Molecular Formular: C18H23F2N3O2
• Molecular Mass: 351.3909264
• Monoisotopic Mass: 351.17583343
• SMILES: c1(c2c(c(ccc2OC)F)F)n(CC(N2CCOCC2)CC)ccn1
• Canonical SMILES: CCC(N1CCOCC1)Cn1ccnc1c1c(OC)ccc(c1F)F
• InChI: InChI=1S/C18H23F2N3O2/c1-3-13(22-8-10-25-11-9-22)12-23-7-6-21-18(23)16-15(24-2)5-4-14(19)17(16)20/h4-7,13H,3,8-12H2,1-2H3
• InChIKey: UWPDOZKZKVBUPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]butan-2-yl}morpholine
• IUPAC Traditional name: 4-{1-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]butan-2-yl}morpholine
• Synonyms: 4-(1-{[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]methyl}propyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.90456176
• LogD (pH = 7.4): 2.634508
• Log P: 2.9701962
• Molar Refractivity: 101.9435 cm^3
• Polarizability: 35.435 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.79
• LOG S: -2.28
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 6