ChemSpider 2D Image | 2-{4-[2-(4-{1-[2-Ethoxy(~2~H_4_)ethyl]-1H-benzimidazol-2-yl}-1-piperidinyl)ethyl]phenyl}-2-methylpropanoic acid | C28H33D4N3O3

2-{4-[2-(4-{1-[2-Ethoxy(2H4)ethyl]-1H-benzimidazol-2-yl}-1-piperidinyl)ethyl]phenyl}-2-methylpropanoic acid

  • Molecular FormulaC28H33D4N3O3
  • Average mass467.636 Da
  • Monoisotopic mass467.308594 Da
  • ChemSpider ID110404688

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{4-[2-(4-{1-[2-Ethoxy(2H4)ethyl]-1H-benzimidazol-2-yl}-1-piperidinyl)ethyl]phenyl}-2-methylpropanoic acid [ACD/IUPAC Name]
2-{4-[2-(4-{1-[2-Ethoxy(2H4)ethyl]-1H-benzimidazol-2-yl}-1-piperidinyl)ethyl]phenyl}-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-{4-[2-(4-{1-[2-éthoxy(2H4)éthyl]-1H-benzimidazol-2-yl}-1-pipéridinyl)éthyl]phényl}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[2-[4-[1-(2-ethoxyethyl-1,1,2,2-d4)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-dimethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 639.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 8.57
ACD/KOC (pH 5.5): 29.46
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 10.54
ACD/KOC (pH 7.4): 36.21
Polar Surface Area: 68 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 398.9±7.0 cm3

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