4-[2-(pyrazin-2-yloxy)hex-5-en-1-yl]thiomorpholine

• ChemBase ID: 524498
• Molecular Formular: C14H21N3OS
• Molecular Mass: 279.40104
• Monoisotopic Mass: 279.14053331
• SMILES: N1(CC(Oc2nccnc2)CCC=C)CCSCC1
• Canonical SMILES: C=CCCC(Oc1cnccn1)CN1CCSCC1
• InChI: InChI=1S/C14H21N3OS/c1-2-3-4-13(12-17-7-9-19-10-8-17)18-14-11-15-5-6-16-14/h2,5-6,11,13H,1,3-4,7-10,12H2
• InChIKey: DHMCGRLBIRZWJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyrazin-2-yloxy)hex-5-en-1-yl]thiomorpholine
• IUPAC Traditional name: 4-[2-(pyrazin-2-yloxy)hex-5-en-1-yl]thiomorpholine
• Synonyms: 4-[2-(pyrazin-2-yloxy)hex-5-en-1-yl]thiomorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.50036407
• LogD (pH = 7.4): 1.2511959
• Log P: 1.8787373
• Molar Refractivity: 80.089 cm^3
• Polarizability: 31.250496 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: 2.67
• LOG S: -2.51
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 7