N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 445546
• Molecular Formular: C19H20N6O
• Molecular Mass: 348.4017
• Monoisotopic Mass: 348.16985929
• SMILES: c12n(c(cn1)CC(=O)NCCCn1nnc3c1cccc3)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCCCn1nnc2c1cccc2
• InChI: InChI=1S/C19H20N6O/c1-14-6-4-10-24-15(13-21-19(14)24)12-18(26)20-9-5-11-25-17-8-3-2-7-16(17)22-23-25/h2-4,6-8,10,13H,5,9,11-12H2,1H3,(H,20,26)
• InChIKey: LFPTUINHHIVOFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[3-(1,2,3-benzotriazol-1-yl)propyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.495008
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.76653427
• LogD (pH = 7.4): 1.5095414
• Log P: 1.5608467
• Molar Refractivity: 111.0521 cm^3
• Polarizability: 38.498276 Å^3
• Polar Surface Area: 77.11 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: 1.85
• LOG S: -4.43
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 6