4-(3,5-dimethylfuran-2-carbonyl)-2-[(4-fluorophenyl)methyl]morpholine

• ChemBase ID: 322381
• Molecular Formular: C18H20FNO3
• Molecular Mass: 317.3547032
• Monoisotopic Mass: 317.14272173
• SMILES: c1(C(=O)N2CC(OCC2)Cc2ccc(F)cc2)c(cc(o1)C)C
• Canonical SMILES: Fc1ccc(cc1)CC1OCCN(C1)C(=O)c1oc(cc1C)C
• InChI: InChI=1S/C18H20FNO3/c1-12-9-13(2)23-17(12)18(21)20-7-8-22-16(11-20)10-14-3-5-15(19)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3
• InChIKey: AMONUQCKDSGTBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-dimethylfuran-2-carbonyl)-2-[(4-fluorophenyl)methyl]morpholine
• IUPAC Traditional name: 4-(3,5-dimethylfuran-2-carbonyl)-2-[(4-fluorophenyl)methyl]morpholine
• Synonyms: 4-(3,5-dimethyl-2-furoyl)-2-(4-fluorobenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0415704
• LogD (pH = 7.4): 3.0415704
• Log P: 3.0415704
• Molar Refractivity: 85.8403 cm^3
• Polarizability: 32.02696 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.18
• LOG S: -4.68
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 3