ChemSpider 2D Image | 4-[2-({4-[(1S)-1-(4-Isobutylphenyl)ethoxy]-2,3-dimethylbenzoyl}amino)phenoxy]butanoic acid | C31H37NO5

4-[2-({4-[(1S)-1-(4-Isobutylphenyl)ethoxy]-2,3-dimethylbenzoyl}amino)phenoxy]butanoic acid

  • Molecular FormulaC31H37NO5
  • Average mass503.629 Da
  • Monoisotopic mass503.267181 Da
  • ChemSpider ID9679427

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[2-({4-[(1S)-1-(4-Isobutylphenyl)ethoxy]-2,3-dimethylbenzoyl}amino)phenoxy]butanoic acid [ACD/IUPAC Name]
4-[2-({4-[(1S)-1-(4-Isobutylphenyl)ethoxy]-2,3-dimethylbenzoyl}amino)phenoxy]butansäure [German] [ACD/IUPAC Name]
4-{2-[(2,3-dimethyl-4-{(1S)-1-[4-(2-methylpropyl)phenyl]ethoxy}benzoyl)amino]phenoxy}butanoic acid
Acide 4-[2-({4-[(1S)-1-(4-isobutylphényl)éthoxy]-2,3-diméthylbenzoyl}amino)phénoxy]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[2-[[2,3-dimethyl-4-[(1S)-1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]amino]phenoxy]- [ACD/Index Name]
4-(2-{4-[(S)-1-(4-Isobutyl-phenyl)-ethoxy]-2,3-dimethyl-benzoylamino}-phenoxy)-butyric acid
ONO-3805

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.5±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 9143.47
ACD/KOC (pH 5.5): 12642.07
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 143.67
ACD/KOC (pH 7.4): 198.64
Polar Surface Area: 85 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 437.2±3.0 cm3

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