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

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

  • Molecular FormulaC40H44N2O3
  • Average mass600.789 Da
  • Monoisotopic mass600.335205 Da
  • ChemSpider ID155021

More details:

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

1H-Indole-1-butanoic acid, 3-[3-[[bis[4-(2-methylpropyl)phenyl]methyl]amino]benzoyl]- [ACD/Index Name]
4-[3-(3-{[Bis(4-isobutylphenyl)methyl]amino}benzoyl)-1H-indol-1-yl]butanoic acid [ACD/IUPAC Name]
4-[3-(3-{[Bis(4-isobutylphenyl)methyl]amino}benzoyl)-1H-indol-1-yl]butansäure [German] [ACD/IUPAC Name]
4-{3-[3-({bis[4-(2-methylpropyl)phenyl]methyl}amino)benzoyl]-1H-indol-1-yl}butanoic acid
Acide 4-[3-(3-{[bis(4-isobutylphényl)méthyl]amino}benzoyl)-1H-indol-1-yl]butanoïque [French] [ACD/IUPAC Name]
163136-03-6 [RN]
1H-INDOLE-1-BUTANOICACID, 3-[3-[[BIS[4-(2-METHYLPROPYL)PHENYL]METHYL]AMINO]BENZOYL]-
4-[3-(3-{[Bis-(4-isobutyl-phenyl)-methyl]-amino}-benzoyl)-indol-1-yl]-butyric acid
4-[3-[3-[Bis[4-(2-methylpropyl)phenyl]methylamino]benzoyl]indol-1-yl]butanoic acid
FK 143

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

FK-143 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 778.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.6±32.9 °C
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: 9.92
ACD/LogD (pH 5.5): 8.02
ACD/BCF (pH 5.5): 459022.28
ACD/KOC (pH 5.5): 226475.88
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 7296.02
ACD/KOC (pH 7.4): 3599.77
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

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