2-(2,3-dihydro-1H-inden-1-yl)-N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}acetamide

• ChemBase ID: 865667
• Molecular Formular: C20H20N4OS
• Molecular Mass: 364.464
• Monoisotopic Mass: 364.13578228
• SMILES: c1(nc(cs1)CCNC(=O)CC1c2c(CC1)cccc2)c1nccnc1
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NCCc1csc(n1)c1cnccn1
• InChI: InChI=1S/C20H20N4OS/c25-19(11-15-6-5-14-3-1-2-4-17(14)15)23-8-7-16-13-26-20(24-16)18-12-21-9-10-22-18/h1-4,9-10,12-13,15H,5-8,11H2,(H,23,25)
• InChIKey: GLGGPPWQVSVJIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.240292
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.486036
• LogD (pH = 7.4): 2.486037
• Log P: 2.486037
• Molar Refractivity: 110.8871 cm^3
• Polarizability: 39.49107 Å^3
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.17
• LOG S: -4.57
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 6