4-{2-[2-(2,3,4-trimethoxyphenyl)-1H-imidazol-1-yl]ethyl}-1,3-thiazole

• ChemBase ID: 680313
• Molecular Formular: C17H19N3O3S
• Molecular Mass: 345.41606
• Monoisotopic Mass: 345.11471248
• SMILES: c1(c2n(ccn2)CCc2ncsc2)c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(OC)c(OC)ccc1c1nccn1CCc1cscn1
• InChI: InChI=1S/C17H19N3O3S/c1-21-14-5-4-13(15(22-2)16(14)23-3)17-18-7-9-20(17)8-6-12-10-24-11-19-12/h4-5,7,9-11H,6,8H2,1-3H3
• InChIKey: SBAUOVPQOZJWHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8920162
• LogD (pH = 7.4): 2.320712
• Log P: 2.3319588
• Molar Refractivity: 102.3989 cm^3
• Polarizability: 35.87059 Å^3
• Polar Surface Area: 58.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.67
• LOG S: -3.15
• Polar Surface Area: 58.4 Å^2
• Rotatable Bonds: 7