3-ethoxy-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-4-(prop-2-en-1-yloxy)benzamide

• ChemBase ID: 782605
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: n12c(nc(c1)CCNC(=O)c1cc(c(cc1)OCC=C)OCC)cccc2
• Canonical SMILES: C=CCOc1ccc(cc1OCC)C(=O)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C21H23N3O3/c1-3-13-27-18-9-8-16(14-19(18)26-4-2)21(25)22-11-10-17-15-24-12-6-5-7-20(24)23-17/h3,5-9,12,14-15H,1,4,10-11,13H2,2H3,(H,22,25)
• InChIKey: RRGDYMAMXNRBBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-4-(prop-2-en-1-yloxy)benzamide
• IUPAC Traditional name: 3-ethoxy-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-4-(prop-2-en-1-yloxy)benzamide
• Synonyms: 4-(allyloxy)-3-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.694805
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9211222
• LogD (pH = 7.4): 2.6230946
• Log P: 2.6495388
• Molar Refractivity: 105.539 cm^3
• Polarizability: 39.711998 Å^3
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.97
• LOG S: -4.4
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 9