2-{4-[2-(thiophen-2-yl)ethyl]piperazin-1-yl}pyrazine

• ChemBase ID: 478919
• Molecular Formular: C14H18N4S
• Molecular Mass: 274.38452
• Monoisotopic Mass: 274.1252176
• SMILES: N1(c2nccnc2)CCN(CCc2sccc2)CC1
• Canonical SMILES: c1cnc(cn1)N1CCN(CC1)CCc1cccs1
• InChI: InChI=1S/C14H18N4S/c1-2-13(19-11-1)3-6-17-7-9-18(10-8-17)14-12-15-4-5-16-14/h1-2,4-5,11-12H,3,6-10H2
• InChIKey: NCANXLHSJZTUOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[2-(thiophen-2-yl)ethyl]piperazin-1-yl}pyrazine
• IUPAC Traditional name: 2-{4-[2-(thiophen-2-yl)ethyl]piperazin-1-yl}pyrazine
• Synonyms: 2-{4-[2-(2-thienyl)ethyl]-1-piperazinyl}pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.30056846
• LogD (pH = 7.4): 1.4385477
• Log P: 2.0135376
• Molar Refractivity: 78.9043 cm^3
• Polarizability: 29.685781 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.39
• LOG S: -2.37
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4