4-{2-[(5-fluoropyrimidin-2-yl)oxy]hex-5-en-1-yl}thiomorpholine

• ChemBase ID: 779270
• Molecular Formular: C14H20FN3OS
• Molecular Mass: 297.3915032
• Monoisotopic Mass: 297.1311115
• SMILES: c1(ncc(cn1)F)OC(CN1CCSCC1)CCC=C
• Canonical SMILES: C=CCCC(Oc1ncc(cn1)F)CN1CCSCC1
• InChI: InChI=1S/C14H20FN3OS/c1-2-3-4-13(11-18-5-7-20-8-6-18)19-14-16-9-12(15)10-17-14/h2,9-10,13H,1,3-8,11H2
• InChIKey: UXQNQPWYZCYYLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[(5-fluoropyrimidin-2-yl)oxy]hex-5-en-1-yl}thiomorpholine
• IUPAC Traditional name: 4-{2-[(5-fluoropyrimidin-2-yl)oxy]hex-5-en-1-yl}thiomorpholine
• Synonyms: 4-{2-[(5-fluoropyrimidin-2-yl)oxy]hex-5-en-1-yl}thiomorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.30375794
• LogD (pH = 7.4): 2.0428083
• Log P: 2.617602
• Molar Refractivity: 80.916 cm^3
• Polarizability: 30.932178 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.87
• LOG S: -2.81
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 7