ChemSpider 2D Image | 4-[1-(3-{[Bis(4-isobutylphenyl)methyl]amino}benzoyl)-3-indolizinyl]butanoic acid | C40H44N2O3

4-[1-(3-{[Bis(4-isobutylphenyl)methyl]amino}benzoyl)-3-indolizinyl]butanoic acid

  • Molecular FormulaC40H44N2O3
  • Average mass600.789 Da
  • Monoisotopic mass600.335205 Da
  • ChemSpider ID9909406

More details:

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

3-Indolizinebutanoic acid, 1-[3-[[bis[4-(2-methylpropyl)phenyl]methyl]amino]benzoyl]- [ACD/Index Name]
4-[1-(3-{[Bis(4-isobutylphenyl)methyl]amino}benzoyl)-3-indolizinyl]butanoic acid [ACD/IUPAC Name]
4-[1-(3-{[Bis(4-isobutylphenyl)methyl]amino}benzoyl)-3-indolizinyl]butansäure [German] [ACD/IUPAC Name]
Acide 4-[1-(3-{[bis(4-isobutylphényl)méthyl]amino}benzoyl)-3-indolizinyl]butanoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 183.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.14
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 361404.78
ACD/KOC (pH 5.5): 193918.44
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 5771.55
ACD/KOC (pH 7.4): 3096.83
Polar Surface Area: 71 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 536.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement