ChemSpider 2D Image | {3-[(3R)-3-{[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}butoxy]phenyl}acetic acid | C34H33ClF3NO3

{3-[(3R)-3-{[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}butoxy]phenyl}acetic acid

  • Molecular FormulaC34H33ClF3NO3
  • Average mass596.079 Da
  • Monoisotopic mass595.210083 Da
  • ChemSpider ID8394185
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

{3-[(3R)-3-{[2-Chlor-3-(trifluormethyl)benzyl](2,2-diphenylethyl)amino}butoxy]phenyl}essigsäure [German] [ACD/IUPAC Name]
{3-[(3R)-3-{[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}butoxy]phenyl}acetic acid [ACD/IUPAC Name]
610318-54-2 [RN]
Acide {3-[(3R)-3-{[2-chloro-3-(trifluorométhyl)benzyl](2,2-diphényléthyl)amino}butoxy]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[(3R)-3-[[[2-chloro-3-(trifluoromethyl)phenyl]methyl](2,2-diphenylethyl)amino]butoxy]- [ACD/Index Name]
BS-17201
RGX-104
RGX104 Free Acid
SB 742881
SB-742881

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

Q26B92650V [DBID]
UNII:Q26B92650V [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.3±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 158.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 2784.01
ACD/KOC (pH 5.5): 2122.93
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 1128.50
ACD/KOC (pH 7.4): 860.53
Polar Surface Area: 50 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 478.3±3.0 cm3

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