2-(4-{2-[2-(1-benzofuran-2-yl)-1H-imidazol-1-yl]ethyl}-1,3-thiazol-2-yl)pyrazine

• ChemBase ID: 520835
• Molecular Formular: C20H15N5OS
• Molecular Mass: 373.431
• Monoisotopic Mass: 373.09973113
• SMILES: c1(c2n(ccn2)CCc2nc(sc2)c2nccnc2)oc2c(c1)cccc2
• Canonical SMILES: c1cnc(cn1)c1scc(n1)CCn1ccnc1c1cc2c(o1)cccc2
• InChI: InChI=1S/C20H15N5OS/c1-2-4-17-14(3-1)11-18(26-17)19-23-8-10-25(19)9-5-15-13-27-20(24-15)16-12-21-6-7-22-16/h1-4,6-8,10-13H,5,9H2
• InChIKey: WPCUUWHWGJKLAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{2-[2-(1-benzofuran-2-yl)-1H-imidazol-1-yl]ethyl}-1,3-thiazol-2-yl)pyrazine
• IUPAC Traditional name: 2-(4-{2-[2-(1-benzofuran-2-yl)imidazol-1-yl]ethyl}-1,3-thiazol-2-yl)pyrazine
• Synonyms: 2-(4-{2-[2-(1-benzofuran-2-yl)-1H-imidazol-1-yl]ethyl}-1,3-thiazol-2-yl)pyrazine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7750149
• LogD (pH = 7.4): 2.858179
• Log P: 2.8593729
• Molar Refractivity: 122.1437 cm^3
• Polarizability: 41.197327 Å^3
• Polar Surface Area: 69.63 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 0
• Log P: 3.13
• LOG S: -4.6
• Polar Surface Area: 69.63 Å^2