ChemSpider 2D Image | 73YSY3U094 | C34H31F3N2O3

73YSY3U094

  • Molecular FormulaC34H31F3N2O3
  • Average mass572.617 Da
  • Monoisotopic mass572.228699 Da
  • ChemSpider ID30790864

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-Phényl{4-[4-({[4'-(trifluorométhyl)-2-biphénylyl]carbonyl}amino)phényl]-1-pipéridinyl}acétate de méthyle [French] [ACD/IUPAC Name]
1-Piperidineacetic acid, α-phenyl-4-[4-[[[4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]phenyl]-, methyl ester, (αR)- [ACD/Index Name]
73YSY3U094
Methyl (2R)-phenyl{4-[4-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)phenyl]-1-piperidinyl}acetate [ACD/IUPAC Name]
Methyl-(2R)-phenyl{4-[4-({[4'-(trifluormethyl)-2-biphenylyl]carbonyl}amino)phenyl]-1-piperidinyl}acetat [German] [ACD/IUPAC Name]
UNII:73YSY3U094
UNII-73YSY3U094

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

9364 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.8±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 52254.70
ACD/KOC (pH 5.5): 75302.62
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 73065.49
ACD/KOC (pH 7.4): 105292.41
Polar Surface Area: 59 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 454.9±3.0 cm3

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